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

C21H23N3O — CID 8968920

IUPAC4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C21H23N3O/c22-14-17-8-10-18(11-9-17)21(25)23-15-19-6-2-3-7-20(19)16-24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13,15-16H2,(H,23,25)
InChIKeyXYFVTWDMFMKDBJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.47
Rot. Bonds5

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

4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 8968920) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID8968920
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1
InChIInChI=1S/C21H23N3O/c22-14-17-8-10-18(11-9-17)21(25)23-15-19-6-2-3-7-20(19)16-24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13,15-16H2,(H,23,25)
InChIKeyXYFVTWDMFMKDBJ-UHFFFAOYSA-N
XLogP3.47
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142408
2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142712
4-propan-2-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142470
4-(methylsulfonylmethyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8969533
4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 42121264
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide
CID 9069207
4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24516619
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9398987
4-(ethylsulfanylmethyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 55873848
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]naphthalene-2-carboxamide
CID 24551039

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (CID 8968920) is 4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is N#Cc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1.
What is the InChIKey of 4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is XYFVTWDMFMKDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c22-14-17-8-10-18(11-9-17)21(25)23-15-19-6-2-3-7-20(19)16-24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13,15-16H2,(H,23,25).
What are the key properties of 4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 333.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 8968920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).