4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide

C24H30N4O3 — CID 108875887

IUPAC4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NC2CC(=O)N(C(C)c3ccccc3)C2)CC1
InChIInChI=1S/C24H30N4O3/c1-18(19-8-4-3-5-9-19)28-17-20(16-23(28)29)25-24(30)27-14-12-26(13-15-27)21-10-6-7-11-22(21)31-2/h3-11,18,20H,12-17H2,1-2H3,(H,25,30)
InChIKeyYYXMADSELPGYRQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.89
Rot. Bonds5

About 4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide

4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide (PubChem CID 108875887) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
PubChem CID108875887
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NC2CC(=O)N(C(C)c3ccccc3)C2)CC1
InChIInChI=1S/C24H30N4O3/c1-18(19-8-4-3-5-9-19)28-17-20(16-23(28)29)25-24(30)27-14-12-26(13-15-27)21-10-6-7-11-22(21)31-2/h3-11,18,20H,12-17H2,1-2H3,(H,25,30)
InChIKeyYYXMADSELPGYRQ-UHFFFAOYSA-N
XLogP2.89
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]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

4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
CID 108875871
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 16812474
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 41106609
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
CID 108875946
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 41106594
N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 41129285
1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875635
1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875834
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 108875809
methyl 2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]acetate
CID 108875961

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide (CID 108875887) is 4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)NC2CC(=O)N(C(C)c3ccccc3)C2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
The InChIKey is YYXMADSELPGYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-18(19-8-4-3-5-9-19)28-17-20(16-23(28)29)25-24(30)27-14-12-26(13-15-27)21-10-6-7-11-22(21)31-2/h3-11,18,20H,12-17H2,1-2H3,(H,25,30).
What are the key properties of 4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 108875887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).