ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate

C24H30N2O4 — CID 51724508

IUPACethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN([C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1
InChIInChI=1S/C24H30N2O4/c1-3-29-21-15-9-8-14-20(21)25-23(27)22(18-11-6-5-7-12-18)26-16-10-13-19(17-26)24(28)30-4-2/h5-9,11-12,14-15,19,22H,3-4,10,13,16-17H2,1-2H3,(H,25,27)/t19-,22-/m0/s1
InChIKeyHFUCEGYVZWQMBK-UGKGYDQZSA-N
MW410.51 g/mol
LogP4.04
Rot. Bonds8

About ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate

ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate (PubChem CID 51724508) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
PubChem CID51724508
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Nameethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN([C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1
InChIInChI=1S/C24H30N2O4/c1-3-29-21-15-9-8-14-20(21)25-23(27)22(18-11-6-5-7-12-18)26-16-10-13-19(17-26)24(28)30-4-2/h5-9,11-12,14-15,19,22H,3-4,10,13,16-17H2,1-2H3,(H,25,27)/t19-,22-/m0/s1
InChIKeyHFUCEGYVZWQMBK-UGKGYDQZSA-N
XLogP4.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl (3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
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CID 111333839
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
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(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
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ethyl (3R)-1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidine-3-carboxylate
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(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
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2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
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(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate (CID 51724508) is ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN([C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1.
What is the InChIKey of ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate?
The InChIKey is HFUCEGYVZWQMBK-UGKGYDQZSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-29-21-15-9-8-14-20(21)25-23(27)22(18-11-6-5-7-12-18)26-16-10-13-19(17-26)24(28)30-4-2/h5-9,11-12,14-15,19,22H,3-4,10,13,16-17H2,1-2H3,(H,25,27)/t19-,22-/m0/s1.
What are the key properties of ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate?
ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate has a molecular weight of 410.51 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate is sourced from PubChem (CID 51724508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).