(3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide

C15H17ClN4O — CID 81119583

IUPAC(3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1ccnc1)[C@@H]1CCCNC1
InChIInChI=1S/C15H17ClN4O/c16-12-4-1-5-13(14(12)20-8-7-18-10-20)19-15(21)11-3-2-6-17-9-11/h1,4-5,7-8,10-11,17H,2-3,6,9H2,(H,19,21)/t11-/m1/s1
InChIKeyCGGVYRBXHNVEBL-LLVKDONJSA-N
MW304.78 g/mol
LogP2.46
Rot. Bonds3

About (3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide

(3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 81119583) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID81119583
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1ccnc1)[C@@H]1CCCNC1
InChIInChI=1S/C15H17ClN4O/c16-12-4-1-5-13(14(12)20-8-7-18-10-20)19-15(21)11-3-2-6-17-9-11/h1,4-5,7-8,10-11,17H,2-3,6,9H2,(H,19,21)/t11-/m1/s1
InChIKeyCGGVYRBXHNVEBL-LLVKDONJSA-N
XLogP2.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 43699228
(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81123663
N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide
CID 119862178
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
N-isoquinolin-5-ylpiperidine-3-carboxamide
CID 43702210
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
(3R)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119455
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
CID 63307734
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide (CID 81119583) is (3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide is O=C(Nc1cccc(Cl)c1-n1ccnc1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is CGGVYRBXHNVEBL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-12-4-1-5-13(14(12)20-8-7-18-10-20)19-15(21)11-3-2-6-17-9-11/h1,4-5,7-8,10-11,17H,2-3,6,9H2,(H,19,21)/t11-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide?
(3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 81119583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).