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

C24H31N3O3 — CID 16910200

IUPAC1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(CC(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C24H31N3O3/c1-4-30-22-8-6-5-7-21(22)26-24(29)19-11-13-27(14-12-19)16-23(28)25-20-10-9-17(2)15-18(20)3/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeySSRFPAFGZANYIU-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.99
Rot. Bonds7

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

1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide (PubChem CID 16910200) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
PubChem CID16910200
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(CC(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C24H31N3O3/c1-4-30-22-8-6-5-7-21(22)26-24(29)19-11-13-27(14-12-19)16-23(28)25-20-10-9-17(2)15-18(20)3/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeySSRFPAFGZANYIU-UHFFFAOYSA-N
XLogP3.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193
N-(2-methoxy-4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910362
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910194
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 16910167
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16910175
N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077678
1-N-(2,4-dimethylphenyl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150632
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-(4-carbamoylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910253
N-(2-ethoxyphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266460
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 16812702

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide (CID 16910200) is 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide is CCOc1ccccc1NC(=O)C1CCN(CC(=O)Nc2ccc(C)cc2C)CC1.
What is the InChIKey of 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is SSRFPAFGZANYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-30-22-8-6-5-7-21(22)26-24(29)19-11-13-27(14-12-19)16-23(28)25-20-10-9-17(2)15-18(20)3/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16910200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).