N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide

C23H28N2O2 — CID 113006744

IUPACN-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-3-19-11-7-8-17(2)22(19)24-23(27)20-12-14-25(15-13-20)21(26)16-18-9-5-4-6-10-18/h4-11,20H,3,12-16H2,1-2H3,(H,24,27)
InChIKeyLHVSXDQYEKERQS-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.98
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide (PubChem CID 113006744) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
PubChem CID113006744
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-3-19-11-7-8-17(2)22(19)24-23(27)20-12-14-25(15-13-20)21(26)16-18-9-5-4-6-10-18/h4-11,20H,3,12-16H2,1-2H3,(H,24,27)
InChIKeyLHVSXDQYEKERQS-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006759
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006911
N-(2-ethyl-6-methylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006739
3-(4-benzylpiperidin-1-yl)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide
CID 108952134
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113006871
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384738
N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45006997
N-(2-ethyl-6-methylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147639
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195
ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008679

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide (CID 113006744) is N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide is CCc1cccc(C)c1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The InChIKey is LHVSXDQYEKERQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-19-11-7-8-17(2)22(19)24-23(27)20-12-14-25(15-13-20)21(26)16-18-9-5-4-6-10-18/h4-11,20H,3,12-16H2,1-2H3,(H,24,27).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).