(2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C27H32N2O6 — CID 46792674

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(N2C(=O)CCC(C(=O)OCC(=O)N3CCCCC3)C2c2ccccc2OC)cc1
InChIInChI=1S/C27H32N2O6/c1-33-20-12-10-19(11-13-20)29-24(30)15-14-22(26(29)21-8-4-5-9-23(21)34-2)27(32)35-18-25(31)28-16-6-3-7-17-28/h4-5,8-13,22,26H,3,6-7,14-18H2,1-2H3
InChIKeyWRPLMCMBDAFCED-UHFFFAOYSA-N
MW480.56 g/mol
LogP3.74
Rot. Bonds7

About (2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 46792674) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID46792674
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(N2C(=O)CCC(C(=O)OCC(=O)N3CCCCC3)C2c2ccccc2OC)cc1
InChIInChI=1S/C27H32N2O6/c1-33-20-12-10-19(11-13-20)29-24(30)15-14-22(26(29)21-8-4-5-9-23(21)34-2)27(32)35-18-25(31)28-16-6-3-7-17-28/h4-5,8-13,22,26H,3,6-7,14-18H2,1-2H3
InChIKeyWRPLMCMBDAFCED-UHFFFAOYSA-N
XLogP3.74
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate with MolForge

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Related Compounds

(2-amino-2-oxoethyl) (2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7953421
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 46792691
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
(2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 16548560
(2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 166353255
N,N-diethyl-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43006134
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one
CID 134016755
N-cyclopentyl-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 112802703
(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40863526
N-(4-acetylphenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42999456
(2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250930
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250931

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 46792674) is (2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is COc1ccc(N2C(=O)CCC(C(=O)OCC(=O)N3CCCCC3)C2c2ccccc2OC)cc1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is WRPLMCMBDAFCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-33-20-12-10-19(11-13-20)29-24(30)15-14-22(26(29)21-8-4-5-9-23(21)34-2)27(32)35-18-25(31)28-16-6-3-7-17-28/h4-5,8-13,22,26H,3,6-7,14-18H2,1-2H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 480.56 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 46792674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).