4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one

C15H17FN2O2 — CID 110657064

IUPAC4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)C2CCC2)C1c1ccccc1F
InChIInChI=1S/C15H17FN2O2/c16-12-7-2-1-6-11(12)13-14(19)17-8-9-18(13)15(20)10-4-3-5-10/h1-2,6-7,10,13H,3-5,8-9H2,(H,17,19)
InChIKeyNGTWIANAZDWAHN-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.63
Rot. Bonds2

About 4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one

4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one (PubChem CID 110657064) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one
PubChem CID110657064
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)C2CCC2)C1c1ccccc1F
InChIInChI=1S/C15H17FN2O2/c16-12-7-2-1-6-11(12)13-14(19)17-8-9-18(13)15(20)10-4-3-5-10/h1-2,6-7,10,13H,3-5,8-9H2,(H,17,19)
InChIKeyNGTWIANAZDWAHN-UHFFFAOYSA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-4-[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]piperazin-2-one
CID 110657056
4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657002
3-(2-fluorophenyl)-4-(2-oxopropyl)piperazin-2-one
CID 146108844
2-[4-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 110657054
3-(2-fluorophenyl)-4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)piperazin-2-one
CID 154839731
4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657027
(3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one
CID 124969913
4-(2-chloro-5-nitrobenzoyl)-3-(2-fluorophenyl)piperazin-2-one
CID 86788395
(3S)-4-(2-chloro-5-nitrobenzoyl)-3-(2-fluorophenyl)piperazin-2-one
CID 99782808
4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644909
1-[2-(2-fluorophenyl)-3-oxopiperazine-1-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
CID 167942672
2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
CID 166209794

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one (CID 110657064) is 4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one is O=C1NCCN(C(=O)C2CCC2)C1c1ccccc1F.
What is the InChIKey of 4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one?
The InChIKey is NGTWIANAZDWAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-12-7-2-1-6-11(12)13-14(19)17-8-9-18(13)15(20)10-4-3-5-10/h1-2,6-7,10,13H,3-5,8-9H2,(H,17,19).
What are the key properties of 4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one?
4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one has a molecular weight of 276.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 110657064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).