1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide

C22H28N2O — CID 45013570

IUPAC1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H28N2O/c1-16-13-17(2)21(18(3)14-16)23-22(25)20-9-11-24(12-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,23,25)
InChIKeyCTALIWTXFZJLGO-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.46
Rot. Bonds4

About 1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide

1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide (PubChem CID 45013570) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
PubChem CID45013570
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H28N2O/c1-16-13-17(2)21(18(3)14-16)23-22(25)20-9-11-24(12-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,23,25)
InChIKeyCTALIWTXFZJLGO-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45009186
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide
CID 108532245
(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 801756
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019725
ethyl 3-[(1-benzylpiperidine-4-carbonyl)amino]-4-methylbenzoate
CID 46774513
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 16909868
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 45012369

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide (CID 45013570) is 1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide is Cc1cc(C)c(NC(=O)C2CCN(Cc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
The InChIKey is CTALIWTXFZJLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16-13-17(2)21(18(3)14-16)23-22(25)20-9-11-24(12-10-20)15-19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,23,25).
What are the key properties of 1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide?
1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 45013570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).