N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide

C24H30N2O2 — CID 113006911

IUPACN-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-17(2)21-11-7-8-18(3)23(21)25-24(28)20-12-14-26(15-13-20)22(27)16-19-9-5-4-6-10-19/h4-11,17,20H,12-16H2,1-3H3,(H,25,28)
InChIKeyLJTKZTWWOZUYHC-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.54
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide (PubChem CID 113006911) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
PubChem CID113006911
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-17(2)21-11-7-8-18(3)23(21)25-24(28)20-12-14-26(15-13-20)22(27)16-19-9-5-4-6-10-19/h4-11,17,20H,12-16H2,1-3H3,(H,25,28)
InChIKeyLJTKZTWWOZUYHC-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006744
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113006910
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006759
N-[2,6-di(propan-2-yl)phenyl]-1-propanoylpiperidine-4-carboxamide
CID 113008342
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
N-benzyl-1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 25468739
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 113008347
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
3-(4-benzylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-3-oxopropanamide
CID 108949330
N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26218792

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide (CID 113006911) is N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide is Cc1cccc(C(C)C)c1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The InChIKey is LJTKZTWWOZUYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17(2)21-11-7-8-18(3)23(21)25-24(28)20-12-14-26(15-13-20)22(27)16-19-9-5-4-6-10-19/h4-11,17,20H,12-16H2,1-3H3,(H,25,28).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).