ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate

C29H35N3O5 — CID 46374698

IUPACethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N2CCN(c3ccccc3OC)CC2)c1C
InChIInChI=1S/C29H35N3O5/c1-5-37-29(34)24-20-26(22-10-12-23(35-3)13-11-22)32(21(24)2)15-14-28(33)31-18-16-30(17-19-31)25-8-6-7-9-27(25)36-4/h6-13,20H,5,14-19H2,1-4H3
InChIKeyFVONABQUKLXUHV-UHFFFAOYSA-N
MW505.62 g/mol
LogP4.40
Rot. Bonds9

About ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate

ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate (PubChem CID 46374698) has the molecular formula C29H35N3O5 and a molecular weight of 505.62 g/mol. Its IUPAC name is ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate
PubChem CID46374698
Molecular FormulaC29H35N3O5
Molecular Weight505.62 g/mol
Exact Mass505.26
IUPAC Nameethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N2CCN(c3ccccc3OC)CC2)c1C
InChIInChI=1S/C29H35N3O5/c1-5-37-29(34)24-20-26(22-10-12-23(35-3)13-11-22)32(21(24)2)15-14-28(33)31-18-16-30(17-19-31)25-8-6-7-9-27(25)36-4/h6-13,20H,5,14-19H2,1-4H3
InChIKeyFVONABQUKLXUHV-UHFFFAOYSA-N
XLogP4.40
TPSA73.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate
CID 46374681
ethyl 2-methyl-5-(4-methylphenyl)-1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrole-3-carboxylate
CID 12004856
ethyl 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 46374701
ethyl 1-(3-hydrazinyl-3-oxopropyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxylate
CID 11559267
ethyl 1-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 3608249
ethyl 1-[3-(4-methoxyanilino)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 4620061
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110688170
3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8867327
[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 42785655
1-[4-(2-methoxyphenyl)piperazin-1-yl]octadecan-1-one
CID 156635306
3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one
CID 4740951
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate?
The IUPAC name of ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate (CID 46374698) is ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N2CCN(c3ccccc3OC)CC2)c1C.
What is the InChIKey of ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate?
The InChIKey is FVONABQUKLXUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O5/c1-5-37-29(34)24-20-26(22-10-12-23(35-3)13-11-22)32(21(24)2)15-14-28(33)31-18-16-30(17-19-31)25-8-6-7-9-27(25)36-4/h6-13,20H,5,14-19H2,1-4H3.
What are the key properties of ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate?
ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate has a molecular weight of 505.62 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxyphenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-methylpyrrole-3-carboxylate is sourced from PubChem (CID 46374698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).