2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide

C20H21N3O — CID 46890786

IUPAC2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide
SMILESN#Cc1cccc(-c2ccccc2C(=O)NCC2CCNCC2)c1
InChIInChI=1S/C20H21N3O/c21-13-16-4-3-5-17(12-16)18-6-1-2-7-19(18)20(24)23-14-15-8-10-22-11-9-15/h1-7,12,15,22H,8-11,14H2,(H,23,24)
InChIKeyJFJQHAZGJMUWMV-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.95
Rot. Bonds4

About 2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide

2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 46890786) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide
PubChem CID46890786
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide
SMILESN#Cc1cccc(-c2ccccc2C(=O)NCC2CCNCC2)c1
InChIInChI=1S/C20H21N3O/c21-13-16-4-3-5-17(12-16)18-6-1-2-7-19(18)20(24)23-14-15-8-10-22-11-9-15/h1-7,12,15,22H,8-11,14H2,(H,23,24)
InChIKeyJFJQHAZGJMUWMV-UHFFFAOYSA-N
XLogP2.95
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide (CID 46890786) is 2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide is N#Cc1cccc(-c2ccccc2C(=O)NCC2CCNCC2)c1.
What is the InChIKey of 2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is JFJQHAZGJMUWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-13-16-4-3-5-17(12-16)18-6-1-2-7-19(18)20(24)23-14-15-8-10-22-11-9-15/h1-7,12,15,22H,8-11,14H2,(H,23,24).
What are the key properties of 2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide?
2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 319.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 46890786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).