3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile

C23H22N4O — CID 118978665

IUPAC3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile
SMILESCC(=O)N1CCC(c2cc(C#N)ccc2-c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C23H22N4O/c1-17(28)26-11-8-20(9-12-26)23-14-18(15-24)2-7-22(23)19-3-5-21(6-4-19)27-13-10-25-16-27/h2-7,10,13-14,16,20H,8-9,11-12H2,1H3
InChIKeyZAYLETUKBQEACV-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.14
Rot. Bonds3

About 3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile

3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile (PubChem CID 118978665) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile
PubChem CID118978665
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile
SMILESCC(=O)N1CCC(c2cc(C#N)ccc2-c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C23H22N4O/c1-17(28)26-11-8-20(9-12-26)23-14-18(15-24)2-7-22(23)19-3-5-21(6-4-19)27-13-10-25-16-27/h2-7,10,13-14,16,20H,8-9,11-12H2,1H3
InChIKeyZAYLETUKBQEACV-UHFFFAOYSA-N
XLogP4.14
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-acetylpiperidin-4-yl)-4-iodobenzonitrile
CID 118978626
3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propanamide
CID 118978778
4-(2-ethyl-4-imidazol-1-ylphenyl)benzonitrile
CID 118978698
3-(3-ethoxypropyl)-4-(4-imidazol-1-ylphenyl)benzonitrile
CID 118978635
3-[2-(4-cyano-2-methylphenyl)-3-(4-imidazol-1-ylphenyl)pyrrol-1-yl]propanoic acid
CID 67175664
3-(3-aminopropyl)-4-(4-imidazol-1-ylphenyl)benzonitrile;2-nitropropane
CID 145051173
1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone
CID 23118279
4-(4-imidazol-1-ylphenyl)-3-(2-pyridin-3-ylethyl)benzonitrile
CID 118978757
N-[3-[5-cyano-2-(4-imidazol-1-ylphenyl)phenyl]propyl]propane-2-sulfonamide
CID 118978825
1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 95820895
4-[4-[(1-acetylpiperidin-4-yl)methylsulfanyl]-2-fluorophenyl]benzonitrile
CID 155231681
4-(4-imidazol-1-ylphenyl)-3-[(E)-prop-1-enyl]benzoic acid
CID 145051065

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile (CID 118978665) is 3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile is CC(=O)N1CCC(c2cc(C#N)ccc2-c2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile?
The InChIKey is ZAYLETUKBQEACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-17(28)26-11-8-20(9-12-26)23-14-18(15-24)2-7-22(23)19-3-5-21(6-4-19)27-13-10-25-16-27/h2-7,10,13-14,16,20H,8-9,11-12H2,1H3.
What are the key properties of 3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile?
3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile has a molecular weight of 370.46 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-4-(4-imidazol-1-ylphenyl)benzonitrile is sourced from PubChem (CID 118978665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).