4-(1-benzoylpiperidine-3-carbonyl)benzonitrile

C20H18N2O2 — CID 142430135

IUPAC4-(1-benzoylpiperidine-3-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)C2CCCN(C(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C20H18N2O2/c21-13-15-8-10-16(11-9-15)19(23)18-7-4-12-22(14-18)20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12,14H2
InChIKeyOTBACOYHZREYPH-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.29
Rot. Bonds3

About 4-(1-benzoylpiperidine-3-carbonyl)benzonitrile

4-(1-benzoylpiperidine-3-carbonyl)benzonitrile (PubChem CID 142430135) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(1-benzoylpiperidine-3-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(1-benzoylpiperidine-3-carbonyl)benzonitrile
PubChem CID142430135
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-(1-benzoylpiperidine-3-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)C2CCCN(C(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C20H18N2O2/c21-13-15-8-10-16(11-9-15)19(23)18-7-4-12-22(14-18)20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12,14H2
InChIKeyOTBACOYHZREYPH-UHFFFAOYSA-N
XLogP3.29
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
methyl (3S)-1-(4-cyanobenzoyl)piperidine-3-carboxylate
CID 78919442
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
N-[4-(1-benzoylpiperidine-3-carbonyl)phenyl]methanesulfonamide
CID 19801797
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
4-[(3S)-3-[[3-(piperidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900771
4-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900885
(4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
CID 42306915
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzoylpiperidine-3-carbonyl)benzonitrile?
The IUPAC name of 4-(1-benzoylpiperidine-3-carbonyl)benzonitrile (CID 142430135) is 4-(1-benzoylpiperidine-3-carbonyl)benzonitrile.
What is the SMILES notation for 4-(1-benzoylpiperidine-3-carbonyl)benzonitrile?
The canonical SMILES for 4-(1-benzoylpiperidine-3-carbonyl)benzonitrile is N#Cc1ccc(C(=O)C2CCCN(C(=O)c3ccccc3)C2)cc1.
What is the InChIKey of 4-(1-benzoylpiperidine-3-carbonyl)benzonitrile?
The InChIKey is OTBACOYHZREYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c21-13-15-8-10-16(11-9-15)19(23)18-7-4-12-22(14-18)20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12,14H2.
What are the key properties of 4-(1-benzoylpiperidine-3-carbonyl)benzonitrile?
4-(1-benzoylpiperidine-3-carbonyl)benzonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzoylpiperidine-3-carbonyl)benzonitrile is sourced from PubChem (CID 142430135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).