1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

C20H29N3O2 — CID 112826915

IUPAC1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCC(CC)N1CC(C(=O)N2CCN(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C20H29N3O2/c1-3-17(4-2)23-15-16(14-19(23)24)20(25)22-12-10-21(11-13-22)18-8-6-5-7-9-18/h5-9,16-17H,3-4,10-15H2,1-2H3
InChIKeyHQQFLWBRXSLSBG-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.37
Rot. Bonds5

About 1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 112826915) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID112826915
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCC(CC)N1CC(C(=O)N2CCN(c3ccccc3)CC2)CC1=O
InChIInChI=1S/C20H29N3O2/c1-3-17(4-2)23-15-16(14-19(23)24)20(25)22-12-10-21(11-13-22)18-8-6-5-7-9-18/h5-9,16-17H,3-4,10-15H2,1-2H3
InChIKeyHQQFLWBRXSLSBG-UHFFFAOYSA-N
XLogP2.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-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

(4R)-1-[(1R)-1-phenylethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7031821
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 112826883
(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8549524
1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355319
4-(4-cyclopentylpiperazine-1-carbonyl)-1-pentan-3-ylpyrrolidin-2-one
CID 112826695
4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186685
4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 112826872
1-(2,6-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186228
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 112826915) is 1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is CCC(CC)N1CC(C(=O)N2CCN(c3ccccc3)CC2)CC1=O.
What is the InChIKey of 1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is HQQFLWBRXSLSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-17(4-2)23-15-16(14-19(23)24)20(25)22-12-10-21(11-13-22)18-8-6-5-7-9-18/h5-9,16-17H,3-4,10-15H2,1-2H3.
What are the key properties of 1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 343.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 112826915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).