4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile

C22H21N5O — CID 97155832

IUPAC4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)cc1
InChIInChI=1S/C22H21N5O/c23-14-17-6-8-18(9-7-17)22(28)27-12-3-4-19(15-27)21-25-11-13-26(21)16-20-5-1-2-10-24-20/h1-2,5-11,13,19H,3-4,12,15-16H2/t19-/m1/s1
InChIKeySKAKWNMVAVELLI-LJQANCHMSA-N
MW371.44 g/mol
LogP3.22
Rot. Bonds4

About 4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile

4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile (PubChem CID 97155832) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile
PubChem CID97155832
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)cc1
InChIInChI=1S/C22H21N5O/c23-14-17-6-8-18(9-7-17)22(28)27-12-3-4-19(15-27)21-25-11-13-26(21)16-20-5-1-2-10-24-20/h1-2,5-11,13,19H,3-4,12,15-16H2/t19-/m1/s1
InChIKeySKAKWNMVAVELLI-LJQANCHMSA-N
XLogP3.22
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97117798
(1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97142614
(1-tert-butylpyrrol-3-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97275072
(5-fluoro-3-pyridinyl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72909128
(2-methoxy-4-pyridinyl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97270134
(2-methoxy-4-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97270135
(1-methylpyrrol-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97150810
5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 72849233
5-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 72937420
3-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile
CID 97275163
(5-methyl-1,2-oxazol-3-yl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72899366
(2-methoxy-3-pyridinyl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281633

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile?
The IUPAC name of 4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile (CID 97155832) is 4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile.
What is the SMILES notation for 4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile?
The canonical SMILES for 4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile is N#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)cc1.
What is the InChIKey of 4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile?
The InChIKey is SKAKWNMVAVELLI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N5O/c23-14-17-6-8-18(9-7-17)22(28)27-12-3-4-19(15-27)21-25-11-13-26(21)16-20-5-1-2-10-24-20/h1-2,5-11,13,19H,3-4,12,15-16H2/t19-/m1/s1.
What are the key properties of 4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile?
4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile has a molecular weight of 371.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 97155832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).