(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide

C13H16ClN3O2 — CID 81124281

IUPAC(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)[C@@H]2CCCNC2)cc1Cl
InChIInChI=1S/C13H16ClN3O2/c14-11-6-9(3-4-10(11)12(15)18)17-13(19)8-2-1-5-16-7-8/h3-4,6,8,16H,1-2,5,7H2,(H2,15,18)(H,17,19)/t8-/m1/s1
InChIKeyXVGTWGZKYPSTAM-MRVPVSSYSA-N
MW281.74 g/mol
LogP1.38
Rot. Bonds3

About (3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide

(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide (PubChem CID 81124281) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is (3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
PubChem CID81124281
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)[C@@H]2CCCNC2)cc1Cl
InChIInChI=1S/C13H16ClN3O2/c14-11-6-9(3-4-10(11)12(15)18)17-13(19)8-2-1-5-16-7-8/h3-4,6,8,16H,1-2,5,7H2,(H2,15,18)(H,17,19)/t8-/m1/s1
InChIKeyXVGTWGZKYPSTAM-MRVPVSSYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
CID 43706556
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128
N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide
CID 82864995
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119747432
N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119742686
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119300196
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43712007
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide (CID 81124281) is (3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide is NC(=O)c1ccc(NC(=O)[C@@H]2CCCNC2)cc1Cl.
What is the InChIKey of (3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide?
The InChIKey is XVGTWGZKYPSTAM-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-11-6-9(3-4-10(11)12(15)18)17-13(19)8-2-1-5-16-7-8/h3-4,6,8,16H,1-2,5,7H2,(H2,15,18)(H,17,19)/t8-/m1/s1.
What are the key properties of (3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide?
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 81124281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).