N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide

C20H24N2O — CID 2729497

IUPACN-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCc1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O/c1-16-7-9-17(10-8-16)15-22-13-11-19(12-14-22)21-20(23)18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H,21,23)
InChIKeyWBTWQWLXEBZOEO-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.39
Rot. Bonds4

About N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide

N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 2729497) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID2729497
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCc1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O/c1-16-7-9-17(10-8-16)15-22-13-11-19(12-14-22)21-20(23)18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H,21,23)
InChIKeyWBTWQWLXEBZOEO-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
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N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
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N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
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N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
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N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
CID 21413261
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-(1-benzylpiperidin-4-yl)-3-methyl-4-nitrobenzamide
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N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
N-(1-benzylpiperidin-4-yl)-4-[[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazin-1-yl]methyl]benzamide
CID 143819252

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide (CID 2729497) is N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide is Cc1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is WBTWQWLXEBZOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-7-9-17(10-8-16)15-22-13-11-19(12-14-22)21-20(23)18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H,21,23).
What are the key properties of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide?
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 308.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 2729497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).