ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate

C30H38N2O9S — CID 42748769

IUPACethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CSC(c3ccc(OC)c(OC)c3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C30H38N2O9S/c1-7-41-30(35)18-10-12-31(13-11-18)28(34)21-17-42-29(19-8-9-22(36-2)23(14-19)37-3)32(21)27(33)20-15-24(38-4)26(40-6)25(16-20)39-5/h8-9,14-16,18,21,29H,7,10-13,17H2,1-6H3
InChIKeyCLAHCGQZPYTJCG-UHFFFAOYSA-N
MW602.71 g/mol
LogP3.79
Rot. Bonds10

About ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate

ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate (PubChem CID 42748769) has the molecular formula C30H38N2O9S and a molecular weight of 602.71 g/mol. Its IUPAC name is ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
PubChem CID42748769
Molecular FormulaC30H38N2O9S
Molecular Weight602.71 g/mol
Exact Mass602.23
IUPAC Nameethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CSC(c3ccc(OC)c(OC)c3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C30H38N2O9S/c1-7-41-30(35)18-10-12-31(13-11-18)28(34)21-17-42-29(19-8-9-22(36-2)23(14-19)37-3)32(21)27(33)20-15-24(38-4)26(40-6)25(16-20)39-5/h8-9,14-16,18,21,29H,7,10-13,17H2,1-6H3
InChIKeyCLAHCGQZPYTJCG-UHFFFAOYSA-N
XLogP3.79
TPSA113.07 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.71
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate with MolForge

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Related Compounds

[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42748782
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748773
N-benzyl-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748764
ethyl 3-(4-tert-butylbenzoyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylate
CID 4266553
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4530085
N-butyl-2-(4-tert-butylphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749107
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
N,N-diethyl-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749363
2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 5226971
ethyl 1-[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157654
3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744233
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate (CID 42748769) is ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CSC(c3ccc(OC)c(OC)c3)N2C(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is CLAHCGQZPYTJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O9S/c1-7-41-30(35)18-10-12-31(13-11-18)28(34)21-17-42-29(19-8-9-22(36-2)23(14-19)37-3)32(21)27(33)20-15-24(38-4)26(40-6)25(16-20)39-5/h8-9,14-16,18,21,29H,7,10-13,17H2,1-6H3.
What are the key properties of ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 602.71 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 42748769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).