2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate

C25H31NO6 — CID 44765789

IUPAC2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate
SMILESCCOc1ccccc1C(=O)N1CCCCC1C(=O)OCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H31NO6/c1-4-31-21-11-6-5-9-19(21)24(27)26-15-8-7-10-20(26)25(28)32-16-14-18-12-13-22(29-2)23(17-18)30-3/h5-6,9,11-13,17,20H,4,7-8,10,14-16H2,1-3H3
InChIKeyCEEDNQGNOQFRIR-UHFFFAOYSA-N
MW441.52 g/mol
LogP3.88
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate

2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate (PubChem CID 44765789) has the molecular formula C25H31NO6 and a molecular weight of 441.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate
PubChem CID44765789
Molecular FormulaC25H31NO6
Molecular Weight441.52 g/mol
Exact Mass441.22
IUPAC Name2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate
SMILESCCOc1ccccc1C(=O)N1CCCCC1C(=O)OCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H31NO6/c1-4-31-21-11-6-5-9-19(21)24(27)26-15-8-7-10-20(26)25(28)32-16-14-18-12-13-22(29-2)23(17-18)30-3/h5-6,9,11-13,17,20H,4,7-8,10,14-16H2,1-3H3
InChIKeyCEEDNQGNOQFRIR-UHFFFAOYSA-N
XLogP3.88
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 44764644
2-(3,4-dimethoxyphenyl)ethyl (2S)-1-(3,5-difluorobenzoyl)pyrrolidine-2-carboxylate
CID 44765335
2-(3,4-dimethoxyphenyl)ethyl (2S)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 44764652
tetradecyl 1-(2-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 91715353
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
2-(3,4-dimethoxyphenyl)ethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-2-carboxylate
CID 44765016
2-(1,2,4-triazol-1-yl)ethyl 1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylate
CID 102555795
2-(1,2,4-triazol-1-yl)ethyl (2S)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylate
CID 99803565
2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate
CID 166373036
2-(3,4-dimethoxyphenyl)ethyl 1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-2-carboxylate
CID 44765523
1-O-benzyl 2-O-[2-(3,5-dimethoxy-4-methylphenyl)ethyl] (2S)-piperidine-1,2-dicarboxylate
CID 160819971
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate (CID 44765789) is 2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate is CCOc1ccccc1C(=O)N1CCCCC1C(=O)OCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate?
The InChIKey is CEEDNQGNOQFRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO6/c1-4-31-21-11-6-5-9-19(21)24(27)26-15-8-7-10-20(26)25(28)32-16-14-18-12-13-22(29-2)23(17-18)30-3/h5-6,9,11-13,17,20H,4,7-8,10,14-16H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate?
2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate has a molecular weight of 441.52 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethyl 1-(2-ethoxybenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 44765789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).