3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one

C20H24N4O2 — CID 118774662

IUPAC3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1cccc(-c2ncccn2)c1
InChIInChI=1S/C20H24N4O2/c1-3-4-9-17-20(26)23(2)12-13-24(17)19(25)16-8-5-7-15(14-16)18-21-10-6-11-22-18/h5-8,10-11,14,17H,3-4,9,12-13H2,1-2H3
InChIKeyBCRWYASJXKCHAK-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.62
Rot. Bonds5

About 3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one

3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one (PubChem CID 118774662) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
PubChem CID118774662
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1cccc(-c2ncccn2)c1
InChIInChI=1S/C20H24N4O2/c1-3-4-9-17-20(26)23(2)12-13-24(17)19(25)16-8-5-7-15(14-16)18-21-10-6-11-22-18/h5-8,10-11,14,17H,3-4,9,12-13H2,1-2H3
InChIKeyBCRWYASJXKCHAK-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-butyl-1-methyl-4-(3-pyrimidin-2-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

(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377
4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70756865
3-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 70741313
4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one
CID 178039818
4-[3-(6-amino-5-ethynyl-3-pyridinyl)benzoyl]-1-methyl-3-propylpiperazin-2-one
CID 178039903
3-butyl-1-methyl-4-[4-(1H-1,2,4-triazol-5-yl)benzoyl]piperazin-2-one
CID 70745000
4-(2-anilinopyrimidine-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70778714
3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
CID 131897843
3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one
CID 131941063
(3R)-3-butyl-4-[4-(5-methoxy-3-pyridinyl)benzoyl]-1-methylpiperazin-2-one
CID 126428549
(3S)-3-butyl-1-methyl-4-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazin-2-one
CID 97207797
3-butyl-1-methyl-4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-2-one
CID 90647875

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one?
The IUPAC name of 3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one (CID 118774662) is 3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one.
What is the SMILES notation for 3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one?
The canonical SMILES for 3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one is CCCCC1C(=O)N(C)CCN1C(=O)c1cccc(-c2ncccn2)c1.
What is the InChIKey of 3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one?
The InChIKey is BCRWYASJXKCHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-4-9-17-20(26)23(2)12-13-24(17)19(25)16-8-5-7-15(14-16)18-21-10-6-11-22-18/h5-8,10-11,14,17H,3-4,9,12-13H2,1-2H3.
What are the key properties of 3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one?
3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one is sourced from PubChem (CID 118774662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).