1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one

C17H19FN2O2 — CID 71979870

IUPAC1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2(c3ccccc3F)CC2)CCN1C1CC1
InChIInChI=1S/C17H19FN2O2/c18-14-4-2-1-3-13(14)17(7-8-17)16(22)19-9-10-20(12-5-6-12)15(21)11-19/h1-4,12H,5-11H2
InChIKeyFLGGQHRTXIGLMM-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.69
Rot. Bonds3

About 1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one

1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one (PubChem CID 71979870) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one
PubChem CID71979870
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2(c3ccccc3F)CC2)CCN1C1CC1
InChIInChI=1S/C17H19FN2O2/c18-14-4-2-1-3-13(14)17(7-8-17)16(22)19-9-10-20(12-5-6-12)15(21)11-19/h1-4,12H,5-11H2
InChIKeyFLGGQHRTXIGLMM-UHFFFAOYSA-N
XLogP1.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110411008
[1-(2-fluorophenyl)cyclopropyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110473638
[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 72877100
1-[1-(2-fluorophenyl)cyclobutanecarbonyl]piperidine-4-carboxamide
CID 110436587
[2-[(1R)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 99974491
[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 91775961
1-cyclopentyl-4-[(2S)-2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 99929160
1-cyclopentyl-4-[2-(2-fluorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 77081733
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 124589951
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110413122

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one (CID 71979870) is 1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one is O=C1CN(C(=O)C2(c3ccccc3F)CC2)CCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one?
The InChIKey is FLGGQHRTXIGLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-14-4-2-1-3-13(14)17(7-8-17)16(22)19-9-10-20(12-5-6-12)15(21)11-19/h1-4,12H,5-11H2.
What are the key properties of 1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one?
1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one has a molecular weight of 302.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one is sourced from PubChem (CID 71979870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).