[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone

C22H23FN2O3 — CID 120736182

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccc2c(c1)OCCO2)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C22H23FN2O3/c23-16-3-1-2-15(10-16)19-13-24-6-7-25(19)22(26)18-12-17(18)14-4-5-20-21(11-14)28-9-8-27-20/h1-5,10-11,17-19,24H,6-9,12-13H2
InChIKeyDBAKZFKYEHAVDH-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.87
Rot. Bonds3

About [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 120736182) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID120736182
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccc2c(c1)OCCO2)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C22H23FN2O3/c23-16-3-1-2-15(10-16)19-13-24-6-7-25(19)22(26)18-12-17(18)14-4-5-20-21(11-14)28-9-8-27-20/h1-5,10-11,17-19,24H,6-9,12-13H2
InChIKeyDBAKZFKYEHAVDH-UHFFFAOYSA-N
XLogP2.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740396
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735897
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-piperazin-1-ylmethanone
CID 119403427
2-(1,3-benzodioxol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735998
[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]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
[2-(3,4-difluorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731899
(5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736646
3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736755
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone (CID 120736182) is [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CC1c1ccc2c(c1)OCCO2)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is DBAKZFKYEHAVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c23-16-3-1-2-15(10-16)19-13-24-6-7-25(19)22(26)18-12-17(18)14-4-5-20-21(11-14)28-9-8-27-20/h1-5,10-11,17-19,24H,6-9,12-13H2.
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 382.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120736182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).