3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile

C20H22N4O — CID 143434591

IUPAC3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile
SMILESN#Cc1cccc(C2=NCC(C3CCCCN3C(=O)C3CCC3)=N2)c1
InChIInChI=1S/C20H22N4O/c21-12-14-5-3-8-16(11-14)19-22-13-17(23-19)18-9-1-2-10-24(18)20(25)15-6-4-7-15/h3,5,8,11,15,18H,1-2,4,6-7,9-10,13H2
InChIKeyRADRNDVUTHCDSG-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.94
Rot. Bonds3

About 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile

3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile (PubChem CID 143434591) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile
PubChem CID143434591
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile
SMILESN#Cc1cccc(C2=NCC(C3CCCCN3C(=O)C3CCC3)=N2)c1
InChIInChI=1S/C20H22N4O/c21-12-14-5-3-8-16(11-14)19-22-13-17(23-19)18-9-1-2-10-24(18)20(25)15-6-4-7-15/h3,5,8,11,15,18H,1-2,4,6-7,9-10,13H2
InChIKeyRADRNDVUTHCDSG-UHFFFAOYSA-N
XLogP2.94
TPSA68.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile
CID 53183394
(2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]piperidine-1-carboxylic acid
CID 141188442
3-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]benzonitrile
CID 129397847
(2R)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407288
(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407287
(2R)-N-(3-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818294
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523
tert-butyl 2-[[(3-cyanophenyl)-cycloheptylcarbamoyl]amino]piperidine-1-carboxylate
CID 54142143
N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide
CID 62780707
tert-butyl (2S)-2-(3-cyanophenyl)pyrrolidine-1-carboxylate
CID 91798847
3-[5-(cyclopropanecarbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 144552578
3-(3-formyl-4-pyridinyl)benzonitrile
CID 59205208

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile?
The IUPAC name of 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile (CID 143434591) is 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile?
The canonical SMILES for 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile is N#Cc1cccc(C2=NCC(C3CCCCN3C(=O)C3CCC3)=N2)c1.
What is the InChIKey of 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile?
The InChIKey is RADRNDVUTHCDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-12-14-5-3-8-16(11-14)19-22-13-17(23-19)18-9-1-2-10-24(18)20(25)15-6-4-7-15/h3,5,8,11,15,18H,1-2,4,6-7,9-10,13H2.
What are the key properties of 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile?
3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile has a molecular weight of 334.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(cyclobutanecarbonyl)piperidin-2-yl]-4H-imidazol-2-yl]benzonitrile is sourced from PubChem (CID 143434591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).