N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide

C15H17ClN4O — CID 43699228

IUPACN-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1ccnc1)C1CCNCC1
InChIInChI=1S/C15H17ClN4O/c16-12-2-1-3-13(14(12)20-9-8-18-10-20)19-15(21)11-4-6-17-7-5-11/h1-3,8-11,17H,4-7H2,(H,19,21)
InChIKeyBXSVEVOLNCCMOP-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.46
Rot. Bonds3

About N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide

N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 43699228) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID43699228
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1-n1ccnc1)C1CCNCC1
InChIInChI=1S/C15H17ClN4O/c16-12-2-1-3-13(14(12)20-9-8-18-10-20)19-15(21)11-4-6-17-7-5-11/h1-3,8-11,17H,4-7H2,(H,19,21)
InChIKeyBXSVEVOLNCCMOP-UHFFFAOYSA-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

(3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119583
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide
CID 60843215
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
CID 54991269
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
CID 28969320
4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
CID 63307734
N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
CID 79200005
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 61155642
(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81123663
3-amino-4-(3-chloro-2-imidazol-1-ylanilino)-4-oxobutanoic acid
CID 64897235

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide (CID 43699228) is N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1-n1ccnc1)C1CCNCC1.
What is the InChIKey of N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is BXSVEVOLNCCMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-12-2-1-3-13(14(12)20-9-8-18-10-20)19-15(21)11-4-6-17-7-5-11/h1-3,8-11,17H,4-7H2,(H,19,21).
What are the key properties of N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide?
N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-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 N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 43699228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).