(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide

C15H21ClN2O — CID 81123725

IUPAC(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H21ClN2O/c1-11(9-12-5-2-3-7-14(12)16)18-15(19)13-6-4-8-17-10-13/h2-3,5,7,11,13,17H,4,6,8-10H2,1H3,(H,18,19)/t11?,13-/m1/s1
InChIKeyPVLZGXQMHYWKCC-GLGOKHISSA-N
MW280.80 g/mol
LogP2.39
Rot. Bonds4

About (3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide

(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide (PubChem CID 81123725) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
PubChem CID81123725
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
SMILESCC(Cc1ccccc1Cl)NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H21ClN2O/c1-11(9-12-5-2-3-7-14(12)16)18-15(19)13-6-4-8-17-10-13/h2-3,5,7,11,13,17H,4,6,8-10H2,1H3,(H,18,19)/t11?,13-/m1/s1
InChIKeyPVLZGXQMHYWKCC-GLGOKHISSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119814306
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119321028
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119318158
N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide
CID 62210178
N-(1-thiophen-3-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954195
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-(1-phenylmethoxypropan-2-yl)piperidine-3-carboxamide
CID 119335297
N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 63006245
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide (CID 81123725) is (3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide is CC(Cc1ccccc1Cl)NC(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is PVLZGXQMHYWKCC-GLGOKHISSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(9-12-5-2-3-7-14(12)16)18-15(19)13-6-4-8-17-10-13/h2-3,5,7,11,13,17H,4,6,8-10H2,1H3,(H,18,19)/t11?,13-/m1/s1.
What are the key properties of (3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide?
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 81123725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).