N-(1-benzylpiperidin-3-yl)-2-methylbenzamide

C20H24N2O — CID 42958722

IUPACN-(1-benzylpiperidin-3-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H24N2O/c1-16-8-5-6-12-19(16)20(23)21-18-11-7-13-22(15-18)14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,21,23)
InChIKeyLUFXDMVPMQNUDZ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.39
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-2-methylbenzamide

N-(1-benzylpiperidin-3-yl)-2-methylbenzamide (PubChem CID 42958722) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-methylbenzamide
PubChem CID42958722
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H24N2O/c1-16-8-5-6-12-19(16)20(23)21-18-11-7-13-22(15-18)14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,21,23)
InChIKeyLUFXDMVPMQNUDZ-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

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
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N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
CID 86981138
N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24633033
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134802067
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-(1-benzylpiperidin-3-yl)-2-bromo-5-fluorobenzamide
CID 42958717
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-methylbenzamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-methylbenzamide (CID 42958722) is N-(1-benzylpiperidin-3-yl)-2-methylbenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-methylbenzamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-methylbenzamide?
The InChIKey is LUFXDMVPMQNUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-8-5-6-12-19(16)20(23)21-18-11-7-13-22(15-18)14-17-9-3-2-4-10-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,21,23).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-methylbenzamide?
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide 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-benzylpiperidin-3-yl)-2-methylbenzamide is sourced from PubChem (CID 42958722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).