(R)-N-Methylpiperidine-3-carboxamide

Introduction

CAS No. :	1124199-15-0	MDL No. :	MFCD19227398
Formula :	C7H14N2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LEEDUUNLCWJQNG-ZCFIWIBFSA-N
M.W :	142.20	Pubchem ID :	7175805
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.86
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	43.37
TPSA :	41.13 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.78 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.48
Log Po/w (XLOGP3) :	-0.86
Log Po/w (WLOGP) :	-0.65
Log Po/w (MLOGP) :	-0.05
Log Po/w (SILICOS-IT) :	0.58
Consensus Log Po/w :	0.1

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.05
Solubility :	127.0 mg/ml ; 0.896 mol/l
Class :	Very soluble
Log S (Ali) :	0.48
Solubility :	427.0 mg/ml ; 3.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-1.45
Solubility :	5.02 mg/ml ; 0.0353 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.77

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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