3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one

C17H21FN2O3 — CID 74248815

IUPAC3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one
SMILESCOCC1(C(=O)N2CCNC(=O)C2c2cccc(F)c2)CCC1
InChIInChI=1S/C17H21FN2O3/c1-23-11-17(6-3-7-17)16(22)20-9-8-19-15(21)14(20)12-4-2-5-13(18)10-12/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,19,21)
InChIKeyLNOFJQBMCJOPKX-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.64
Rot. Bonds4

About 3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one

3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one (PubChem CID 74248815) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one
PubChem CID74248815
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one
SMILESCOCC1(C(=O)N2CCNC(=O)C2c2cccc(F)c2)CCC1
InChIInChI=1S/C17H21FN2O3/c1-23-11-17(6-3-7-17)16(22)20-9-8-19-15(21)14(20)12-4-2-5-13(18)10-12/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,19,21)
InChIKeyLNOFJQBMCJOPKX-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-fluorophenyl)-N-[(1-methylcyclohexyl)methyl]-3-oxopiperazine-1-carboxamide
CID 125441244
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490
(3S)-4-[4-(3-aminopropoxy)benzoyl]-3-(3-fluorophenyl)piperazin-2-one
CID 125168382
methyl 2-(3-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 110656859
(3S)-4-[2-[4-(2-aminoethoxy)phenyl]acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126430821
(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 97451816
(3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one
CID 95147843
(3S)-4-[2-(1H-benzimidazol-2-yl)acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126453334
N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 118772653
(3R)-3-(3-fluorophenyl)-4-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperazin-2-one
CID 95861004
3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one
CID 77090341
2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 154567312

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one (CID 74248815) is 3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one is COCC1(C(=O)N2CCNC(=O)C2c2cccc(F)c2)CCC1.
What is the InChIKey of 3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one?
The InChIKey is LNOFJQBMCJOPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-23-11-17(6-3-7-17)16(22)20-9-8-19-15(21)14(20)12-4-2-5-13(18)10-12/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,19,21).
What are the key properties of 3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one?
3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one has a molecular weight of 320.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-[1-(methoxymethyl)cyclobutanecarbonyl]piperazin-2-one is sourced from PubChem (CID 74248815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).