2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile

C19H18N2O — CID 978305

IUPAC2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C19H18N2O/c20-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)19(22)21-12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-13H2
InChIKeyCPMOKSQXNFQOHH-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.85
Rot. Bonds2

About 2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile

2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile (PubChem CID 978305) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile
PubChem CID978305
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C19H18N2O/c20-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)19(22)21-12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-13H2
InChIKeyCPMOKSQXNFQOHH-UHFFFAOYSA-N
XLogP3.85
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile?
The IUPAC name of 2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile (CID 978305) is 2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile?
The canonical SMILES for 2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile is N#Cc1ccccc1-c1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile?
The InChIKey is CPMOKSQXNFQOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c20-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)19(22)21-12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-13H2.
What are the key properties of 2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile?
2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidine-1-carbonyl)phenyl]benzonitrile is sourced from PubChem (CID 978305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).