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

C17H19FN2O2 — CID 97077904

IUPAC1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one
SMILESO=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C17H19FN2O2/c18-12-3-1-11(2-4-12)14-9-15(14)17(22)19-7-8-20(13-5-6-13)16(21)10-19/h1-4,13-15H,5-10H2/t14-,15+/m1/s1
InChIKeyQLGMDGOHBFMRNI-CABCVRRESA-N
MW302.35 g/mol
LogP1.76
Rot. Bonds3

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

1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one (PubChem CID 97077904) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one
PubChem CID97077904
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one
SMILESO=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C17H19FN2O2/c18-12-3-1-11(2-4-12)14-9-15(14)17(22)19-7-8-20(13-5-6-13)16(21)10-19/h1-4,13-15H,5-10H2/t14-,15+/m1/s1
InChIKeyQLGMDGOHBFMRNI-CABCVRRESA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896883
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 95590084
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98774935
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559905
[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429835
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-[(1R,5S)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]methanone
CID 129432946
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 119516884
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 125134461
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811
(3R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125132949
4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
CID 120633509

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one (CID 97077904) is 1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one is O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one?
The InChIKey is QLGMDGOHBFMRNI-CABCVRRESA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-12-3-1-11(2-4-12)14-9-15(14)17(22)19-7-8-20(13-5-6-13)16(21)10-19/h1-4,13-15H,5-10H2/t14-,15+/m1/s1.
What are the key properties of 1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one?
1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one has a molecular weight of 302.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-2-one is sourced from PubChem (CID 97077904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).