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

C15H18N4O — CID 104912825

IUPAC(2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)[C@@H]1CCCCN1
InChIInChI=1S/C15H18N4O/c20-15(13-6-3-4-8-17-13)18-12-5-1-2-7-14(12)19-10-9-16-11-19/h1-2,5,7,9-11,13,17H,3-4,6,8H2,(H,18,20)/t13-/m0/s1
InChIKeyYNPYYAVFWKVUNW-ZDUSSCGKSA-N
MW270.34 g/mol
LogP1.95
Rot. Bonds3

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

(2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide (PubChem CID 104912825) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide
PubChem CID104912825
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1-n1ccnc1)[C@@H]1CCCCN1
InChIInChI=1S/C15H18N4O/c20-15(13-6-3-4-8-17-13)18-12-5-1-2-7-14(12)19-10-9-16-11-19/h1-2,5,7,9-11,13,17H,3-4,6,8H2,(H,18,20)/t13-/m0/s1
InChIKeyYNPYYAVFWKVUNW-ZDUSSCGKSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912988
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110471752
(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913002
N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434124
(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81123663
(2S)-N-[2-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104912986
N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214618
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-(2-imidazol-1-ylphenyl)-2-piperidin-3-ylacetamide
CID 62677033
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
(2R)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-2-carboxamide
CID 104913643

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide (CID 104912825) is (2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide is O=C(Nc1ccccc1-n1ccnc1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide?
The InChIKey is YNPYYAVFWKVUNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(13-6-3-4-8-17-13)18-12-5-1-2-7-14(12)19-10-9-16-11-19/h1-2,5,7,9-11,13,17H,3-4,6,8H2,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide?
(2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-imidazol-1-ylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 104912825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).