2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

C27H27N3O — CID 26953457

IUPAC2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C27H27N3O/c28-18-23-8-2-3-9-24(23)25-10-4-5-11-26(25)27(31)29-19-21-12-14-22(15-13-21)20-30-16-6-1-7-17-30/h2-5,8-15H,1,6-7,16-17,19-20H2,(H,29,31)
InChIKeyXHMPNIUEEONBPW-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.14
Rot. Bonds6

About 2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 26953457) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID26953457
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C27H27N3O/c28-18-23-8-2-3-9-24(23)25-10-4-5-11-26(25)27(31)29-19-21-12-14-22(15-13-21)20-30-16-6-1-7-17-30/h2-5,8-15H,1,6-7,16-17,19-20H2,(H,29,31)
InChIKeyXHMPNIUEEONBPW-UHFFFAOYSA-N
XLogP5.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (CID 26953457) is 2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is XHMPNIUEEONBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c28-18-23-8-2-3-9-24(23)25-10-4-5-11-26(25)27(31)29-19-21-12-14-22(15-13-21)20-30-16-6-1-7-17-30/h2-5,8-15H,1,6-7,16-17,19-20H2,(H,29,31).
What are the key properties of 2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 26953457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).