4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one

C22H25N3O2 — CID 110610513

IUPAC4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESCN1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-23-12-13-24(16-20(23)17-8-4-2-5-9-17)22(27)18-14-21(26)25(15-18)19-10-6-3-7-11-19/h2-11,18,20H,12-16H2,1H3
InChIKeySQGHPWKVLBFGSE-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.55
Rot. Bonds3

About 4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one

4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one (PubChem CID 110610513) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one
PubChem CID110610513
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESCN1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-23-12-13-24(16-20(23)17-8-4-2-5-9-17)22(27)18-14-21(26)25(15-18)19-10-6-3-7-11-19/h2-11,18,20H,12-16H2,1H3
InChIKeySQGHPWKVLBFGSE-UHFFFAOYSA-N
XLogP2.55
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110629361
4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186685
N-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-4-yl]benzamide
CID 46576515
(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110418535
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42568689
tert-butyl 4-(4-methyl-3-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110610516

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one (CID 110610513) is 4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one is CN1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1c1ccccc1.
What is the InChIKey of 4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one?
The InChIKey is SQGHPWKVLBFGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-23-12-13-24(16-20(23)17-8-4-2-5-9-17)22(27)18-14-21(26)25(15-18)19-10-6-3-7-11-19/h2-11,18,20H,12-16H2,1H3.
What are the key properties of 4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one?
4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one has a molecular weight of 363.46 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 110610513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).