[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone

C20H19F3N2O — CID 120735897

IUPAC[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1c1cc(F)ccc1F)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C20H19F3N2O/c21-13-3-1-2-12(8-13)19-11-24-6-7-25(19)20(26)17-10-15(17)16-9-14(22)4-5-18(16)23/h1-5,8-9,15,17,19,24H,6-7,10-11H2
InChIKeyQIEPIQLRJQUZEE-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.38
Rot. Bonds3

About [2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone

[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 120735897) has the molecular formula C20H19F3N2O and a molecular weight of 360.38 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID120735897
Molecular FormulaC20H19F3N2O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1c1cc(F)ccc1F)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C20H19F3N2O/c21-13-3-1-2-12(8-13)19-11-24-6-7-25(19)20(26)17-10-15(17)16-9-14(22)4-5-18(16)23/h1-5,8-9,15,17,19,24H,6-7,10-11H2
InChIKeyQIEPIQLRJQUZEE-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-difluorophenyl)cyclopropyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733139
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736182
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 119401469
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401468
[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571881
[2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729008
[2-(4-fluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730770
2,2,3,3-tetrafluoro-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 120736628
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731899
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone (CID 120735897) is [2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CC1c1cc(F)ccc1F)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of [2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is QIEPIQLRJQUZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O/c21-13-3-1-2-12(8-13)19-11-24-6-7-25(19)20(26)17-10-15(17)16-9-14(22)4-5-18(16)23/h1-5,8-9,15,17,19,24H,6-7,10-11H2.
What are the key properties of [2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 360.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120735897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).