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

C20H22N4O — CID 16896060

IUPAC4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C20H22N4O/c21-13-16-4-6-18(7-5-16)20(25)23-14-17-8-11-24(12-9-17)15-19-3-1-2-10-22-19/h1-7,10,17H,8-9,11-12,14-15H2,(H,23,25)
InChIKeyIKCGCUOQQVJSTF-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.60
Rot. Bonds5

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

4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16896060) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16896060
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C20H22N4O/c21-13-16-4-6-18(7-5-16)20(25)23-14-17-8-11-24(12-9-17)15-19-3-1-2-10-22-19/h1-7,10,17H,8-9,11-12,14-15H2,(H,23,25)
InChIKeyIKCGCUOQQVJSTF-UHFFFAOYSA-N
XLogP2.60
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896001
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887250
4-cyano-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521543
N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42521569
4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944410
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 71998635
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369
4-cyano-N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95216743
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16896060) is 4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide is N#Cc1ccc(C(=O)NCC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is IKCGCUOQQVJSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-13-16-4-6-18(7-5-16)20(25)23-14-17-8-11-24(12-9-17)15-19-3-1-2-10-22-19/h1-7,10,17H,8-9,11-12,14-15H2,(H,23,25).
What are the key properties of 4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16896060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).