1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one

C24H27N3O3 — CID 108535494

IUPAC1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(C(=O)N2CCN(C(=O)C3CC(=O)N(Cc4ccccc4)C3)CC2)c1
InChIInChI=1S/C24H27N3O3/c1-18-6-5-9-20(14-18)23(29)25-10-12-26(13-11-25)24(30)21-15-22(28)27(17-21)16-19-7-3-2-4-8-19/h2-9,14,21H,10-13,15-17H2,1H3
InChIKeyBCFVWPJRMZETFV-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.33
Rot. Bonds4

About 1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 108535494) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID108535494
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(C(=O)N2CCN(C(=O)C3CC(=O)N(Cc4ccccc4)C3)CC2)c1
InChIInChI=1S/C24H27N3O3/c1-18-6-5-9-20(14-18)23(29)25-10-12-26(13-11-25)24(30)21-15-22(28)27(17-21)16-19-7-3-2-4-8-19/h2-9,14,21H,10-13,15-17H2,1H3
InChIKeyBCFVWPJRMZETFV-UHFFFAOYSA-N
XLogP2.33
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[4-(3,4-dimethylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546319
1-benzyl-4-[4-(3,4-dimethoxybenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108935012
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 55879779
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722
1-benzyl-4-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108545946
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
tert-butyl 4-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29127771
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
1-(3-chlorophenyl)-4-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 55575327
(4S)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 9145709
1-benzyl-4-[4-(2-sulfanylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546297

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 108535494) is 1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1cccc(C(=O)N2CCN(C(=O)C3CC(=O)N(Cc4ccccc4)C3)CC2)c1.
What is the InChIKey of 1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BCFVWPJRMZETFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18-6-5-9-20(14-18)23(29)25-10-12-26(13-11-25)24(30)21-15-22(28)27(17-21)16-19-7-3-2-4-8-19/h2-9,14,21H,10-13,15-17H2,1H3.
What are the key properties of 1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 405.50 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 108535494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).