(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide

C13H16ClN3O2 — CID 103808831

IUPAC(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2)cc1Cl
InChIInChI=1S/C13H16ClN3O2/c14-10-7-8(4-5-9(10)12(15)18)17-13(19)11-3-1-2-6-16-11/h4-5,7,11,16H,1-3,6H2,(H2,15,18)(H,17,19)/t11-/m0/s1
InChIKeyYRHNNVXMFALESA-NSHDSACASA-N
MW281.74 g/mol
LogP1.52
Rot. Bonds3

About (2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide

(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide (PubChem CID 103808831) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is (2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
PubChem CID103808831
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2)cc1Cl
InChIInChI=1S/C13H16ClN3O2/c14-10-7-8(4-5-9(10)12(15)18)17-13(19)11-3-1-2-6-16-11/h4-5,7,11,16H,1-3,6H2,(H2,15,18)(H,17,19)/t11-/m0/s1
InChIKeyYRHNNVXMFALESA-NSHDSACASA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide
CID 119286306
N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428317
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119298613
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
N-(3-chloro-4-nitrophenyl)piperidine-2-carboxamide
CID 82864265
N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119316570

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide (CID 103808831) is (2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide is NC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2)cc1Cl.
What is the InChIKey of (2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide?
The InChIKey is YRHNNVXMFALESA-NSHDSACASA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-10-7-8(4-5-9(10)12(15)18)17-13(19)11-3-1-2-6-16-11/h4-5,7,11,16H,1-3,6H2,(H2,15,18)(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide?
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 103808831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).