N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide

C21H23N5O — CID 70760109

IUPACN-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(c2nccn2Cc2cccnc2)C1
InChIInChI=1S/C21H23N5O/c27-21(24-19-8-2-1-3-9-19)26-12-5-7-18(16-26)20-23-11-13-25(20)15-17-6-4-10-22-14-17/h1-4,6,8-11,13-14,18H,5,7,12,15-16H2,(H,24,27)
InChIKeyGTMAPGRUPDFKRG-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.74
Rot. Bonds4

About N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide

N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide (PubChem CID 70760109) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
PubChem CID70760109
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(c2nccn2Cc2cccnc2)C1
InChIInChI=1S/C21H23N5O/c27-21(24-19-8-2-1-3-9-19)26-12-5-7-18(16-26)20-23-11-13-25(20)15-17-6-4-10-22-14-17/h1-4,6,8-11,13-14,18H,5,7,12,15-16H2,(H,24,27)
InChIKeyGTMAPGRUPDFKRG-UHFFFAOYSA-N
XLogP3.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 96574284
1-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70728894
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97199720
[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 72938457
(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72923628
(3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97194429
1-[2-oxo-2-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97210136
3-pyrazol-1-yl-1-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72915772
(5-methyl-1H-imidazol-2-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97131283
2-(2-ethylimidazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97208620
3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97268302

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide (CID 70760109) is N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC(c2nccn2Cc2cccnc2)C1.
What is the InChIKey of N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
The InChIKey is GTMAPGRUPDFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(24-19-8-2-1-3-9-19)26-12-5-7-18(16-26)20-23-11-13-25(20)15-17-6-4-10-22-14-17/h1-4,6,8-11,13-14,18H,5,7,12,15-16H2,(H,24,27).
What are the key properties of N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide?
N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 70760109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).