[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate

C26H31NO8 — CID 30786174

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
SMILESCCOc1cc(C(=O)OCC(=O)c2cc(OC)ccc2OC)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H31NO8/c1-4-33-24-14-18(8-10-23(24)34-17-25(29)27-12-6-5-7-13-27)26(30)35-16-21(28)20-15-19(31-2)9-11-22(20)32-3/h8-11,14-15H,4-7,12-13,16-17H2,1-3H3
InChIKeyXQQRPAZMJHGKKK-UHFFFAOYSA-N
MW485.53 g/mol
LogP3.53
Rot. Bonds11

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate (PubChem CID 30786174) has the molecular formula C26H31NO8 and a molecular weight of 485.53 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
PubChem CID30786174
Molecular FormulaC26H31NO8
Molecular Weight485.53 g/mol
Exact Mass485.20
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
SMILESCCOc1cc(C(=O)OCC(=O)c2cc(OC)ccc2OC)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H31NO8/c1-4-33-24-14-18(8-10-23(24)34-17-25(29)27-12-6-5-7-13-27)26(30)35-16-21(28)20-15-19(31-2)9-11-22(20)32-3/h8-11,14-15H,4-7,12-13,16-17H2,1-3H3
InChIKeyXQQRPAZMJHGKKK-UHFFFAOYSA-N
XLogP3.53
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate with MolForge

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 7489220
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501210
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 23853273
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 23909862
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 4833820
1,3-benzodioxol-5-yl 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 4826965
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 23988457
phenacyl 3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 18281736
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-1-piperidin-1-ylethanone
CID 82002837

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate (CID 30786174) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate is CCOc1cc(C(=O)OCC(=O)c2cc(OC)ccc2OC)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?
The InChIKey is XQQRPAZMJHGKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO8/c1-4-33-24-14-18(8-10-23(24)34-17-25(29)27-12-6-5-7-13-27)26(30)35-16-21(28)20-15-19(31-2)9-11-22(20)32-3/h8-11,14-15H,4-7,12-13,16-17H2,1-3H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate has a molecular weight of 485.53 g/mol, XLogP of 3.53, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate is sourced from PubChem (CID 30786174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).