(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one

C23H27N3O3 — CID 71252641

IUPAC(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3ccc(N4C[C@@H](O)CC4=O)cc3)CC2)c(C)c1
InChIInChI=1S/C23H27N3O3/c1-16-3-8-21(17(2)13-16)24-9-11-25(12-10-24)23(29)18-4-6-19(7-5-18)26-15-20(27)14-22(26)28/h3-8,13,20,27H,9-12,14-15H2,1-2H3/t20-/m0/s1
InChIKeyYOYZKQFFZFTGOR-FQEVSTJZSA-N
MW393.49 g/mol
LogP2.36
Rot. Bonds3

About (4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one

(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one (PubChem CID 71252641) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
PubChem CID71252641
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3ccc(N4C[C@@H](O)CC4=O)cc3)CC2)c(C)c1
InChIInChI=1S/C23H27N3O3/c1-16-3-8-21(17(2)13-16)24-9-11-25(12-10-24)23(29)18-4-6-19(7-5-18)26-15-20(27)14-22(26)28/h3-8,13,20,27H,9-12,14-15H2,1-2H3/t20-/m0/s1
InChIKeyYOYZKQFFZFTGOR-FQEVSTJZSA-N
XLogP2.36
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-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

(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693
(3,4-dichlorophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71822759
1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50896042
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703419
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71251911
(3-methyl-4-pyrrolidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 168513476
[4-(2-cyclopropyl-4-methylphenyl)piperazin-1-yl]-(4-methylphenyl)methanone;ethane
CID 143982822
4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
CID 168702108
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]phenyl]methanone
CID 92876180
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(4-ethylimidazol-4-yl)phenyl]methanone
CID 175383145

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of (4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one (CID 71252641) is (4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for (4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one is Cc1ccc(N2CCN(C(=O)c3ccc(N4C[C@@H](O)CC4=O)cc3)CC2)c(C)c1.
What is the InChIKey of (4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is YOYZKQFFZFTGOR-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-3-8-21(17(2)13-16)24-9-11-25(12-10-24)23(29)18-4-6-19(7-5-18)26-15-20(27)14-22(26)28/h3-8,13,20,27H,9-12,14-15H2,1-2H3/t20-/m0/s1.
What are the key properties of (4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one?
(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 393.49 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 71252641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).