4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one

C20H23FN4O2 — CID 178096352

IUPAC4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one
SMILESCn1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)nc1=O
InChIInChI=1S/C20H23FN4O2/c1-23-7-6-18(22-20(23)27)24-8-10-25(11-9-24)19(26)13-14-2-5-16(15-3-4-15)17(21)12-14/h2,5-7,12,15H,3-4,8-11,13H2,1H3
InChIKeyAQDOZYWVAYEERN-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.69
Rot. Bonds4

About 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one

4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one (PubChem CID 178096352) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one
PubChem CID178096352
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one
SMILESCn1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)nc1=O
InChIInChI=1S/C20H23FN4O2/c1-23-7-6-18(22-20(23)27)24-8-10-25(11-9-24)19(26)13-14-2-5-16(15-3-4-15)17(21)12-14/h2,5-7,12,15H,3-4,8-11,13H2,1H3
InChIKeyAQDOZYWVAYEERN-UHFFFAOYSA-N
XLogP1.69
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-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

2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 155161643
2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide
CID 178096379
4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 175905284
2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 178096351
2-(4-fluorophenyl)-1-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethanone
CID 55987649
2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one
CID 178096362
2-(3,4-difluorophenyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
CID 136513871
2-(4-fluorophenyl)-1-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 50944561
2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 108741549
2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741397
2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 155161689
2-(4-fluorophenyl)-1-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 50945375

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one?
The IUPAC name of 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one (CID 178096352) is 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one?
The canonical SMILES for 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one is Cn1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)nc1=O.
What is the InChIKey of 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one?
The InChIKey is AQDOZYWVAYEERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-23-7-6-18(22-20(23)27)24-8-10-25(11-9-24)19(26)13-14-2-5-16(15-3-4-15)17(21)12-14/h2,5-7,12,15H,3-4,8-11,13H2,1H3.
What are the key properties of 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one?
4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one has a molecular weight of 370.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one is sourced from PubChem (CID 178096352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).