[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C28H36N2O6 — CID 46792691

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(N2C(=O)CCC(C(=O)OCC(=O)N(C(C)C)C(C)C)C2c2ccccc2OC)cc1
InChIInChI=1S/C28H36N2O6/c1-18(2)29(19(3)4)26(32)17-36-28(33)23-15-16-25(31)30(20-11-13-21(34-5)14-12-20)27(23)22-9-7-8-10-24(22)35-6/h7-14,18-19,23,27H,15-17H2,1-6H3
InChIKeyWIUNUAULSDIPFE-UHFFFAOYSA-N
MW496.60 g/mol
LogP4.38
Rot. Bonds9

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 46792691) has the molecular formula C28H36N2O6 and a molecular weight of 496.60 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID46792691
Molecular FormulaC28H36N2O6
Molecular Weight496.60 g/mol
Exact Mass496.26
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(N2C(=O)CCC(C(=O)OCC(=O)N(C(C)C)C(C)C)C2c2ccccc2OC)cc1
InChIInChI=1S/C28H36N2O6/c1-18(2)29(19(3)4)26(32)17-36-28(33)23-15-16-25(31)30(20-11-13-21(34-5)14-12-20)27(23)22-9-7-8-10-24(22)35-6/h7-14,18-19,23,27H,15-17H2,1-6H3
InChIKeyWIUNUAULSDIPFE-UHFFFAOYSA-N
XLogP4.38
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 46792674
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
N,N-diethyl-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43006134
(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-(1-cyclopropylethyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55385087
(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40863526
N-cyclopentyl-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 112802703
N-(4-acetylphenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42999456
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250931
(2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250930

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 46792691) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is COc1ccc(N2C(=O)CCC(C(=O)OCC(=O)N(C(C)C)C(C)C)C2c2ccccc2OC)cc1.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is WIUNUAULSDIPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O6/c1-18(2)29(19(3)4)26(32)17-36-28(33)23-15-16-25(31)30(20-11-13-21(34-5)14-12-20)27(23)22-9-7-8-10-24(22)35-6/h7-14,18-19,23,27H,15-17H2,1-6H3.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 496.60 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 46792691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).