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

C27H32N2O6 — CID 3000024

IUPAC(2-oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(C2C(C(=O)OCC(=O)N3CCCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H32N2O6/c1-33-21-10-6-19(7-11-21)26-23(27(32)35-18-25(31)28-16-4-3-5-17-28)14-15-24(30)29(26)20-8-12-22(34-2)13-9-20/h6-13,23,26H,3-5,14-18H2,1-2H3
InChIKeyYCTJMJZFSGZSJA-UHFFFAOYSA-N
MW480.56 g/mol
LogP3.74
Rot. Bonds7

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

(2-oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 3000024) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID3000024
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(C2C(C(=O)OCC(=O)N3CCCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H32N2O6/c1-33-21-10-6-19(7-11-21)26-23(27(32)35-18-25(31)28-16-4-3-5-17-28)14-15-24(30)29(26)20-8-12-22(34-2)13-9-20/h6-13,23,26H,3-5,14-18H2,1-2H3
InChIKeyYCTJMJZFSGZSJA-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) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate with MolForge

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Related Compounds

2-(4-Fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 3244244
4-(4-Methoxyphenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562522
2-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2931753
6-(3,4-Dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(piperidin-1-ylcarbonyl)piperidin-2-one
CID 3236294
Ethyl 4-[1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 3237139
1,6-Bis(4-methoxyphenyl)-5-(morpholin-4-ylcarbonyl)piperidin-2-one
CID 3238340
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 3238477
6-(4-Fluorophenyl)-1-(4-methoxyphenyl)-5-(piperidin-1-ylcarbonyl)piperidin-2-one
CID 3239018
2,3-bis(4-methoxyphenyl)-4-(morpholin-4-ylcarbonyl)-3,4-dihydroisoquinolin-1(2H)-one
CID 3240807
6-(4-Fluorophenyl)-1-(4-methoxyphenyl)-5-(morpholin-4-ylcarbonyl)piperidin-2-one
CID 3243761
[2-(Tert-butylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
CID 4880586
[2-(Ethylamino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 4882684

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 3000024) is (2-oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is COc1ccc(C2C(C(=O)OCC(=O)N3CCCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is YCTJMJZFSGZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-33-21-10-6-19(7-11-21)26-23(27(32)35-18-25(31)28-16-4-3-5-17-28)14-15-24(30)29(26)20-8-12-22(34-2)13-9-20/h6-13,23,26H,3-5,14-18H2,1-2H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 1,2-bis(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) 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 3000024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).