[2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C27H34N2O6 — CID 41071182

IUPAC[2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCC(CC)NC(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C27H34N2O6/c1-5-19(6-2)28-24(30)17-35-27(32)23-15-16-25(31)29(20-9-13-22(34-4)14-10-20)26(23)18-7-11-21(33-3)12-8-18/h7-14,19,23,26H,5-6,15-17H2,1-4H3,(H,28,30)/t23-,26?/m1/s1
InChIKeyGSLMJBGEJPBLFV-GEPVFLLWSA-N
MW482.58 g/mol
LogP4.04
Rot. Bonds10

About [2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

[2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 41071182) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID41071182
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Name[2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCC(CC)NC(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1
InChIInChI=1S/C27H34N2O6/c1-5-19(6-2)28-24(30)17-35-27(32)23-15-16-25(31)29(20-9-13-22(34-4)14-10-20)26(23)18-7-11-21(33-3)12-8-18/h7-14,19,23,26H,5-6,15-17H2,1-4H3,(H,28,30)/t23-,26?/m1/s1
InChIKeyGSLMJBGEJPBLFV-GEPVFLLWSA-N
XLogP4.04
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate with MolForge

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] (2S,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 40785983
[2-(4-methylanilino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 4969539
(2-amino-2-oxoethyl) (2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7953421
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
[(1R)-1-cyanoethyl] (2S,3S)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 11916475
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
N-cyclopentyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43007439
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
N-cyclohexyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 15993815
(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26917847
(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26360728
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 46792691

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 41071182) is [2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is CCC(CC)NC(=O)COC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1.
What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is GSLMJBGEJPBLFV-GEPVFLLWSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-5-19(6-2)28-24(30)17-35-27(32)23-15-16-25(31)29(20-9-13-22(34-4)14-10-20)26(23)18-7-11-21(33-3)12-8-18/h7-14,19,23,26H,5-6,15-17H2,1-4H3,(H,28,30)/t23-,26?/m1/s1.
What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
[2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 482.58 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-3-ylamino)ethyl] (2R,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 41071182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).