4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one

C24H27N3O4 — CID 47004545

IUPAC4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
SMILESCCOc1ccc(N2CC(C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H27N3O4/c1-2-31-21-10-8-20(9-11-21)27-17-19(16-22(27)28)24(30)26-14-12-25(13-15-26)23(29)18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3
InChIKeyVPXXHEIQWALWFH-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.42
Rot. Bonds5

About 4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one

4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one (PubChem CID 47004545) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
PubChem CID47004545
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
SMILESCCOc1ccc(N2CC(C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H27N3O4/c1-2-31-21-10-8-20(9-11-21)27-17-19(16-22(27)28)24(30)26-14-12-25(13-15-26)23(29)18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3
InChIKeyVPXXHEIQWALWFH-UHFFFAOYSA-N
XLogP2.42
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6494501
N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962660
1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 24533480
1-benzyl-4-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108545946
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 42881962
(4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29135200
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one
CID 47004549
4-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108545947
(3S)-1-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9440802
4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one
CID 113190122
ethyl 2-[4-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoacetate
CID 29127383

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one (CID 47004545) is 4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one is CCOc1ccc(N2CC(C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)cc1.
What is the InChIKey of 4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one?
The InChIKey is VPXXHEIQWALWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-2-31-21-10-8-20(9-11-21)27-17-19(16-22(27)28)24(30)26-14-12-25(13-15-26)23(29)18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3.
What are the key properties of 4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one?
4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one has a molecular weight of 421.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 47004545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).