[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

C23H27N3O4 — CID 7836753

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCCc1ccc(NC(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-2-17-8-10-20(11-9-17)24-21(27)16-30-22(28)18-12-14-26(15-13-18)23(29)25-19-6-4-3-5-7-19/h3-11,18H,2,12-16H2,1H3,(H,24,27)(H,25,29)
InChIKeyMGMIOABPRGACSD-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.67
Rot. Bonds6

About [2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 7836753) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID7836753
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCCc1ccc(NC(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-2-17-8-10-20(11-9-17)24-21(27)16-30-22(28)18-12-14-26(15-13-18)23(29)25-19-6-4-3-5-7-19/h3-11,18H,2,12-16H2,1H3,(H,24,27)(H,25,29)
InChIKeyMGMIOABPRGACSD-UHFFFAOYSA-N
XLogP3.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899072
[2-(diethylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836533
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836509
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836720
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836488
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836718
(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836802
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 29353501
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836796

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 7836753) is [2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is CCc1ccc(NC(=O)COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is MGMIOABPRGACSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-2-17-8-10-20(11-9-17)24-21(27)16-30-22(28)18-12-14-26(15-13-18)23(29)25-19-6-4-3-5-7-19/h3-11,18H,2,12-16H2,1H3,(H,24,27)(H,25,29).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 409.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7836753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).