1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide

C24H31N3O2 — CID 16910175

IUPAC1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)NCCc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C24H31N3O2/c1-18-8-9-22(19(2)16-18)26-23(28)17-27-14-11-21(12-15-27)24(29)25-13-10-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeySPARZVLJWIZONM-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.31
Rot. Bonds7

About 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 16910175) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID16910175
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)NCCc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C24H31N3O2/c1-18-8-9-22(19(2)16-18)26-23(28)17-27-14-11-21(12-15-27)24(29)25-13-10-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeySPARZVLJWIZONM-UHFFFAOYSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 16910167
1-[2-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 11810626
N-[(2,6-difluorophenyl)methyl]-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16812707
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16910200
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16909938
N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910194
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
CID 4524701
N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16809626
N-(4-carbamoylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910253
4-N-(4-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148995
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 16910175) is 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)CN2CCC(C(=O)NCCc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is SPARZVLJWIZONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-8-9-22(19(2)16-18)26-23(28)17-27-14-11-21(12-15-27)24(29)25-13-10-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 16910175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).