1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C24H29N3O3 — CID 24533480

IUPAC1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCOc1ccc(N2CC(C(=O)N3CCN(c4cccc(C)c4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29N3O3/c1-3-30-22-9-7-20(8-10-22)27-17-19(16-23(27)28)24(29)26-13-11-25(12-14-26)21-6-4-5-18(2)15-21/h4-10,15,19H,3,11-14,16-17H2,1-2H3
InChIKeyHYVGRQFAXORCON-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.10
Rot. Bonds5

About 1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 24533480) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID24533480
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCOc1ccc(N2CC(C(=O)N3CCN(c4cccc(C)c4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29N3O3/c1-3-30-22-9-7-20(8-10-22)27-17-19(16-23(27)28)24(29)26-13-11-25(12-14-26)21-6-4-5-18(2)15-21/h4-10,15,19H,3,11-14,16-17H2,1-2H3
InChIKeyHYVGRQFAXORCON-UHFFFAOYSA-N
XLogP3.10
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one 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-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034872
1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6494501
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46587894
1-(3-fluorophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113190156
4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 47004545
4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 46550511
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120613
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
N-(4-ethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497518
ethyl 2-[4-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoacetate
CID 29127383
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 42881962

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 24533480) is 1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is CCOc1ccc(N2CC(C(=O)N3CCN(c4cccc(C)c4)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is HYVGRQFAXORCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-30-22-9-7-20(8-10-22)27-17-19(16-23(27)28)24(29)26-13-11-25(12-14-26)21-6-4-5-18(2)15-21/h4-10,15,19H,3,11-14,16-17H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 407.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 24533480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).