[2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C26H32N2O6 — CID 55406220

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCCCN1C(=O)CCC(C(=O)OCC(=O)Nc2ccc(OC)cc2)C1c1ccccc1OC
InChIInChI=1S/C26H32N2O6/c1-4-5-16-28-24(30)15-14-21(25(28)20-8-6-7-9-22(20)33-3)26(31)34-17-23(29)27-18-10-12-19(32-2)13-11-18/h6-13,21,25H,4-5,14-17H2,1-3H3,(H,27,29)
InChIKeyMIRWHGJTHMUACR-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.97
Rot. Bonds10

About [2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate

[2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 55406220) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID55406220
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCCCN1C(=O)CCC(C(=O)OCC(=O)Nc2ccc(OC)cc2)C1c1ccccc1OC
InChIInChI=1S/C26H32N2O6/c1-4-5-16-28-24(30)15-14-21(25(28)20-8-6-7-9-22(20)33-3)26(31)34-17-23(29)27-18-10-12-19(32-2)13-11-18/h6-13,21,25H,4-5,14-17H2,1-3H3,(H,27,29)
InChIKeyMIRWHGJTHMUACR-UHFFFAOYSA-N
XLogP3.97
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate with MolForge

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Related Compounds

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 9138119
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 46611700
1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24641087
(2S,3R)-1-butyl-2-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 9255593
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7130706
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 55479002
(2R,3R)-1-butyl-N-cyclopropyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 41045510
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
1,3-benzodioxol-5-yl (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 9138938
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 92557254
ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 30544726

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 55406220) is [2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate is CCCCN1C(=O)CCC(C(=O)OCC(=O)Nc2ccc(OC)cc2)C1c1ccccc1OC.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is MIRWHGJTHMUACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-4-5-16-28-24(30)15-14-21(25(28)20-8-6-7-9-22(20)33-3)26(31)34-17-23(29)27-18-10-12-19(32-2)13-11-18/h6-13,21,25H,4-5,14-17H2,1-3H3,(H,27,29).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
[2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 468.55 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 55406220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).