1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide

C22H28N2O — CID 47072278

IUPAC1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-17-8-6-7-11-21(17)18(2)23-22(25)20-12-14-24(15-13-20)16-19-9-4-3-5-10-19/h3-11,18,20H,12-16H2,1-2H3,(H,23,25)
InChIKeyJNRINPCGFXJNSF-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.08
Rot. Bonds5

About 1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide

1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 47072278) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID47072278
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O/c1-17-8-6-7-11-21(17)18(2)23-22(25)20-12-14-24(15-13-20)16-19-9-4-3-5-10-19/h3-11,18,20H,12-16H2,1-2H3,(H,23,25)
InChIKeyJNRINPCGFXJNSF-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
N-[1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46776363
1-benzyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013477
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
1-[(3-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776366
1-[(4-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776367
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120831634
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
CID 133220208
1-benzyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 94013631

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide (CID 47072278) is 1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide is Cc1ccccc1C(C)NC(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is JNRINPCGFXJNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17-8-6-7-11-21(17)18(2)23-22(25)20-12-14-24(15-13-20)16-19-9-4-3-5-10-19/h3-11,18,20H,12-16H2,1-2H3,(H,23,25).
What are the key properties of 1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide?
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 47072278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).