4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

C19H25N3O3 — CID 110346177

IUPAC4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-14(2)22-13-16(12-17(22)23)19(25)21-10-8-20(9-11-21)18(24)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyZYOFARZHQGHUMI-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.23
Rot. Bonds3

About 4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 110346177) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID110346177
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-14(2)22-13-16(12-17(22)23)19(25)21-10-8-20(9-11-21)18(24)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyZYOFARZHQGHUMI-UHFFFAOYSA-N
XLogP1.23
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346182
4-[4-(4-bromobenzoyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108545044
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346217
4-[4-(3-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108544915
1-propan-2-yl-4-[4-(2-sulfanylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546353
N-[2-oxo-2-[4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 108544985
4-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108545947
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110888059
4-[4-[2-(2-chlorophenyl)acetyl]piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 48597700
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one
CID 47004549
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (CID 110346177) is 4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1=O.
What is the InChIKey of 4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is ZYOFARZHQGHUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(2)22-13-16(12-17(22)23)19(25)21-10-8-20(9-11-21)18(24)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of 4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.23, 3 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-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 110346177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).