ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate

C24H29Cl2N3O6 — CID 4535055

IUPACethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)N2CCN(C(=O)OCC)CC2)C(=O)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H29Cl2N3O6/c1-4-34-23(32)22-15(3)29(20(30)13-17(22)16-6-7-18(25)19(26)12-16)14-21(31)27-8-10-28(11-9-27)24(33)35-5-2/h6-7,12,17H,4-5,8-11,13-14H2,1-3H3
InChIKeyLVNLXFOSDOMUEA-UHFFFAOYSA-N
MW526.42 g/mol
LogP3.45
Rot. Bonds6

About ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate (PubChem CID 4535055) has the molecular formula C24H29Cl2N3O6 and a molecular weight of 526.42 g/mol. Its IUPAC name is ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate
PubChem CID4535055
Molecular FormulaC24H29Cl2N3O6
Molecular Weight526.42 g/mol
Exact Mass525.14
IUPAC Nameethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)N2CCN(C(=O)OCC)CC2)C(=O)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H29Cl2N3O6/c1-4-34-23(32)22-15(3)29(20(30)13-17(22)16-6-7-18(25)19(26)12-16)14-21(31)27-8-10-28(11-9-27)24(33)35-5-2/h6-7,12,17H,4-5,8-11,13-14H2,1-3H3
InChIKeyLVNLXFOSDOMUEA-UHFFFAOYSA-N
XLogP3.45
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate (CID 4535055) is ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate is CCOC(=O)C1=C(C)N(CC(=O)N2CCN(C(=O)OCC)CC2)C(=O)CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is LVNLXFOSDOMUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O6/c1-4-34-23(32)22-15(3)29(20(30)13-17(22)16-6-7-18(25)19(26)12-16)14-21(31)27-8-10-28(11-9-27)24(33)35-5-2/h6-7,12,17H,4-5,8-11,13-14H2,1-3H3.
What are the key properties of ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 526.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 4535055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).