(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

C13H17ClN2O — CID 6962119

IUPAC(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O/c14-12-6-2-1-4-10(12)8-16-7-3-5-11(9-16)13(15)17/h1-2,4,6,11H,3,5,7-9H2,(H2,15,17)/t11-/m0/s1
InChIKeyNXKOLYLUIAMDBK-NSHDSACASA-N
MW252.74 g/mol
LogP2.04
Rot. Bonds3

About (3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide

(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 6962119) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID6962119
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O/c14-12-6-2-1-4-10(12)8-16-7-3-5-11(9-16)13(15)17/h1-2,4,6,11H,3,5,7-9H2,(H2,15,17)/t11-/m0/s1
InChIKeyNXKOLYLUIAMDBK-NSHDSACASA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 47090669
1-[(2-chlorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041309
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268
1-[(2-carbamothioylphenyl)methyl]piperidine-3-carboxamide
CID 24701330
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
1-[(2-amino-6-chlorophenyl)methyl]piperidine-3-carboxamide
CID 63745227
(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 95155016
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide (CID 6962119) is (3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of (3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is NXKOLYLUIAMDBK-NSHDSACASA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-6-2-1-4-10(12)8-16-7-3-5-11(9-16)13(15)17/h1-2,4,6,11H,3,5,7-9H2,(H2,15,17)/t11-/m0/s1.
What are the key properties of (3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide?
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 6962119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).