4-Ethyl-4-methylpiperidine-2,6-dione

Introduction

CAS No. :	64-65-3	MDL No. :	MFCD00006673
Formula :	C8H13NO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ORRZGUBHBVWWOP-UHFFFAOYSA-N
M.W :	155.19	Pubchem ID :	2310
Synonyms :	Bemegrid;3-Ethyl-3-methylglutarimide;Zentraleptin;Mikedimide;Malysol;Eukraton;Ahypnon;Agipnon;Antibarbi	Chemical Name :	4-Ethyl-4-methylpiperidine-2,6-dione

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.75
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	45.31
TPSA :	46.17 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.76 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.34
Log Po/w (XLOGP3) :	0.69
Log Po/w (WLOGP) :	0.46
Log Po/w (MLOGP) :	0.99
Log Po/w (SILICOS-IT) :	1.64
Consensus Log Po/w :	1.02

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.17
Solubility :	10.5 mg/ml ; 0.0675 mol/l
Class :	Very soluble
Log S (Ali) :	-1.24
Solubility :	9.0 mg/ml ; 0.058 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.25
Solubility :	0.873 mg/ml ; 0.00562 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.07

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine