4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one

C26H31N3O3 — CID 47004549

IUPAC4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one
SMILESCCC(C)c1ccccc1N1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C26H31N3O3/c1-3-19(2)22-11-7-8-12-23(22)29-18-21(17-24(29)30)26(32)28-15-13-27(14-16-28)25(31)20-9-5-4-6-10-20/h4-12,19,21H,3,13-18H2,1-2H3
InChIKeyCVBMEDGOEAXDKN-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.54
Rot. Bonds5

About 4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one

4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 47004549) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one
PubChem CID47004549
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one
SMILESCCC(C)c1ccccc1N1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C26H31N3O3/c1-3-19(2)22-11-7-8-12-23(22)29-18-21(17-24(29)30)26(32)28-15-13-27(14-16-28)25(31)20-9-5-4-6-10-20/h4-12,19,21H,3,13-18H2,1-2H3
InChIKeyCVBMEDGOEAXDKN-UHFFFAOYSA-N
XLogP3.54
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-butan-2-ylphenyl)-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 111561327
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 2442336
(4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 25344342
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24624490
N-[[1-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55745618
(4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 30824632
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177
4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 47004545
4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 113186532
1-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50895960
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786
1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55333082

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one (CID 47004549) is 4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one is CCC(C)c1ccccc1N1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O.
What is the InChIKey of 4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is CVBMEDGOEAXDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-3-19(2)22-11-7-8-12-23(22)29-18-21(17-24(29)30)26(32)28-15-13-27(14-16-28)25(31)20-9-5-4-6-10-20/h4-12,19,21H,3,13-18H2,1-2H3.
What are the key properties of 4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one?
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 433.55 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 47004549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).