[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate

C25H30N2O6 — CID 55319011

IUPAC[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCCC1CCCCN1C(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C25H30N2O6/c1-3-20-8-4-5-14-27(20)24(29)17-33-25(30)18-10-12-21(13-11-18)32-16-23(28)26-19-7-6-9-22(15-19)31-2/h6-7,9-13,15,20H,3-5,8,14,16-17H2,1-2H3,(H,26,28)
InChIKeyXCMSZAPGXAUKDR-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.66
Rot. Bonds9

About [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate (PubChem CID 55319011) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
PubChem CID55319011
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
SMILESCCC1CCCCN1C(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C25H30N2O6/c1-3-20-8-4-5-14-27(20)24(29)17-33-25(30)18-10-12-21(13-11-18)32-16-23(28)26-19-7-6-9-22(15-19)31-2/h6-7,9-13,15,20H,3-5,8,14,16-17H2,1-2H3,(H,26,28)
InChIKeyXCMSZAPGXAUKDR-UHFFFAOYSA-N
XLogP3.66
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate with MolForge

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539000
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-methoxybenzoate
CID 2371514
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 7842559
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554689
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 29169567
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7931483
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538970
oxolan-2-ylmethyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 24518286
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538978

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate (CID 55319011) is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate is CCC1CCCCN1C(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
The InChIKey is XCMSZAPGXAUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-3-20-8-4-5-14-27(20)24(29)17-33-25(30)18-10-12-21(13-11-18)32-16-23(28)26-19-7-6-9-22(15-19)31-2/h6-7,9-13,15,20H,3-5,8,14,16-17H2,1-2H3,(H,26,28).
What are the key properties of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate?
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate has a molecular weight of 454.52 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 55319011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).