(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide

C13H17ClN2O2 — CID 9120034

IUPAC(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](CO)C1
InChIInChI=1S/C13H17ClN2O2/c14-11-3-5-12(6-4-11)15-13(18)16-7-1-2-10(8-16)9-17/h3-6,10,17H,1-2,7-9H2,(H,15,18)/t10-/m1/s1
InChIKeyHFDXRMOPXCBDJL-SNVBAGLBSA-N
MW268.74 g/mol
LogP2.58
Rot. Bonds2

About (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide

(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 9120034) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID9120034
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](CO)C1
InChIInChI=1S/C13H17ClN2O2/c14-11-3-5-12(6-4-11)15-13(18)16-7-1-2-10(8-16)9-17/h3-6,10,17H,1-2,7-9H2,(H,15,18)/t10-/m1/s1
InChIKeyHFDXRMOPXCBDJL-SNVBAGLBSA-N
XLogP2.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 95094157
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111566301
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110890423
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 111750178
(3S)-N-(4-cyclobutylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 125139496
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356957
3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 63766361

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 9120034) is (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](CO)C1.
What is the InChIKey of (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is HFDXRMOPXCBDJL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-3-5-12(6-4-11)15-13(18)16-7-1-2-10(8-16)9-17/h3-6,10,17H,1-2,7-9H2,(H,15,18)/t10-/m1/s1.
What are the key properties of (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 9120034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).