3-cyano-N-(3-piperidin-1-ylphenyl)benzamide

C19H19N3O — CID 110362112

IUPAC3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1
InChIInChI=1S/C19H19N3O/c20-14-15-6-4-7-16(12-15)19(23)21-17-8-5-9-18(13-17)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2,(H,21,23)
InChIKeyJOBFNZQRUTWYBO-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.80
Rot. Bonds3

About 3-cyano-N-(3-piperidin-1-ylphenyl)benzamide

3-cyano-N-(3-piperidin-1-ylphenyl)benzamide (PubChem CID 110362112) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-cyano-N-(3-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
PubChem CID110362112
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1
InChIInChI=1S/C19H19N3O/c20-14-15-6-4-7-16(12-15)19(23)21-17-8-5-9-18(13-17)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2,(H,21,23)
InChIKeyJOBFNZQRUTWYBO-UHFFFAOYSA-N
XLogP3.80
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 3-cyano-N-(3-piperidin-1-ylphenyl)benzamide (CID 110362112) is 3-cyano-N-(3-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(3-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-cyano-N-(3-piperidin-1-ylphenyl)benzamide is N#Cc1cccc(C(=O)Nc2cccc(N3CCCCC3)c2)c1.
What is the InChIKey of 3-cyano-N-(3-piperidin-1-ylphenyl)benzamide?
The InChIKey is JOBFNZQRUTWYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c20-14-15-6-4-7-16(12-15)19(23)21-17-8-5-9-18(13-17)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2,(H,21,23).
What are the key properties of 3-cyano-N-(3-piperidin-1-ylphenyl)benzamide?
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide has a molecular weight of 305.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 110362112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).