(3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide

C17H20ClN3O2 — CID 96504613

IUPAC(3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(Cl)c(NC(=O)N2CCC[C@@H](CO)C2)c2cccnc12
InChIInChI=1S/C17H20ClN3O2/c1-11-8-14(18)16(13-5-2-6-19-15(11)13)20-17(23)21-7-3-4-12(9-21)10-22/h2,5-6,8,12,22H,3-4,7,9-10H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyKJJPVHWXPWOUHI-GFCCVEGCSA-N
MW333.82 g/mol
LogP3.43
Rot. Bonds2

About (3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide

(3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 96504613) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID96504613
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(Cl)c(NC(=O)N2CCC[C@@H](CO)C2)c2cccnc12
InChIInChI=1S/C17H20ClN3O2/c1-11-8-14(18)16(13-5-2-6-19-15(11)13)20-17(23)21-7-3-4-12(9-21)10-22/h2,5-6,8,12,22H,3-4,7,9-10H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyKJJPVHWXPWOUHI-GFCCVEGCSA-N
XLogP3.43
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71875026
N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110892772
benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110893934
1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 95774160
(3R)-3-(hydroxymethyl)-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide
CID 97280110
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
N-(6-chloro-8-methylquinolin-5-yl)-2-ethoxyacetamide
CID 60779334
6-chloro-N-cyclohexyl-8-methylquinolin-5-amine
CID 43674648
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
4-amino-N-(6-chloro-8-methylquinolin-5-yl)-2-methylbutanamide
CID 80543358
(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 125179775
(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide
CID 99584331

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 96504613) is (3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide is Cc1cc(Cl)c(NC(=O)N2CCC[C@@H](CO)C2)c2cccnc12.
What is the InChIKey of (3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is KJJPVHWXPWOUHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-8-14(18)16(13-5-2-6-19-15(11)13)20-17(23)21-7-3-4-12(9-21)10-22/h2,5-6,8,12,22H,3-4,7,9-10H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide?
(3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 96504613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).