(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide

C15H18N4O — CID 81123663

IUPAC(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)[C@H]1CCCNC1
InChIInChI=1S/C15H18N4O/c20-15(12-4-3-7-16-10-12)18-13-5-1-2-6-14(13)19-9-8-17-11-19/h1-2,5-6,8-9,11-12,16H,3-4,7,10H2,(H,18,20)/t12-/m0/s1
InChIKeyYKUQMUZGXWXOMI-LBPRGKRZSA-N
MW270.34 g/mol
LogP1.81
Rot. Bonds3

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

(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 81123663) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID81123663
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)[C@H]1CCCNC1
InChIInChI=1S/C15H18N4O/c20-15(12-4-3-7-16-10-12)18-13-5-1-2-6-14(13)19-9-8-17-11-19/h1-2,5-6,8-9,11-12,16H,3-4,7,10H2,(H,18,20)/t12-/m0/s1
InChIKeyYKUQMUZGXWXOMI-LBPRGKRZSA-N
XLogP1.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
(3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119583
N-(2-imidazol-1-ylphenyl)-2-piperidin-3-ylacetamide
CID 62677033
N-[2-(3-methylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119341252
(2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912825
N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide
CID 119862178
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119286230
N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110471752
N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434124
N-(2-imidazol-1-ylphenyl)-3-methylpiperidine-3-carboxamide
CID 63129946
N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214618
N-isoquinolin-5-ylpiperidine-3-carboxamide
CID 43702210

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide (CID 81123663) is (3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1-n1ccnc1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is YKUQMUZGXWXOMI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(12-4-3-7-16-10-12)18-13-5-1-2-6-14(13)19-9-8-17-11-19/h1-2,5-6,8-9,11-12,16H,3-4,7,10H2,(H,18,20)/t12-/m0/s1.
What are the key properties of (3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide?
(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 81123663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).