1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one

C18H21N3O2 — CID 110741317

IUPAC1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
SMILESCC(C)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1=O
InChIInChI=1S/C18H21N3O2/c1-14(2)21-12-11-20(13-17(21)22)18(23)15-5-7-16(8-6-15)19-9-3-4-10-19/h3-10,14H,11-13H2,1-2H3
InChIKeyOITZRQAEHRFGEU-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.17
Rot. Bonds3

About 1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one

1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one (PubChem CID 110741317) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
PubChem CID110741317
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
SMILESCC(C)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1=O
InChIInChI=1S/C18H21N3O2/c1-14(2)21-12-11-20(13-17(21)22)18(23)15-5-7-16(8-6-15)19-9-3-4-10-19/h3-10,14H,11-13H2,1-2H3
InChIKeyOITZRQAEHRFGEU-UHFFFAOYSA-N
XLogP2.17
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-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

4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708969
4-(4-tert-butylbenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708986
4-(4-methoxybenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708980
1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
CID 110709011
4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708971
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110347050
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one
CID 110708964
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108533978
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one?
The IUPAC name of 1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one (CID 110741317) is 1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one?
The canonical SMILES for 1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one is CC(C)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1=O.
What is the InChIKey of 1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one?
The InChIKey is OITZRQAEHRFGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14(2)21-12-11-20(13-17(21)22)18(23)15-5-7-16(8-6-15)19-9-3-4-10-19/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one?
1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one is sourced from PubChem (CID 110741317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).