4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide

C25H30N4O5 — CID 55911137

IUPAC4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NCc3cccc(N4CCCC4=O)c3)CC2)c(OC)c1
InChIInChI=1S/C25H30N4O5/c1-33-20-8-9-21(22(16-20)34-2)24(31)27-11-13-28(14-12-27)25(32)26-17-18-5-3-6-19(15-18)29-10-4-7-23(29)30/h3,5-6,8-9,15-16H,4,7,10-14,17H2,1-2H3,(H,26,32)
InChIKeyYPYYPWBUEXTINM-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.50
Rot. Bonds6

About 4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide

4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 55911137) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID55911137
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NCc3cccc(N4CCCC4=O)c3)CC2)c(OC)c1
InChIInChI=1S/C25H30N4O5/c1-33-20-8-9-21(22(16-20)34-2)24(31)27-11-13-28(14-12-27)25(32)26-17-18-5-3-6-19(15-18)29-10-4-7-23(29)30/h3,5-6,8-9,15-16H,4,7,10-14,17H2,1-2H3,(H,26,32)
InChIKeyYPYYPWBUEXTINM-UHFFFAOYSA-N
XLogP2.50
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide 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

1-(2,4-dimethoxyphenyl)-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea
CID 100709852
4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110812395
2,4-dimethoxy-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 86981629
3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 100526543
2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662
4-(2,4-dimethoxybenzoyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 51089081
(E)-3-(2-methoxyphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 39004101
(E)-N-[(3-methoxyphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26050554
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
2-(4-tert-butylphenoxy)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39517699
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 38210733
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide (CID 55911137) is 4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)NCc3cccc(N4CCCC4=O)c3)CC2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is YPYYPWBUEXTINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-33-20-8-9-21(22(16-20)34-2)24(31)27-11-13-28(14-12-27)25(32)26-17-18-5-3-6-19(15-18)29-10-4-7-23(29)30/h3,5-6,8-9,15-16H,4,7,10-14,17H2,1-2H3,(H,26,32).
What are the key properties of 4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxybenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 55911137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).