1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C18H17FN2O3 — CID 798083

IUPAC1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H17FN2O3/c19-14-3-1-2-4-15(14)20-7-9-21(10-8-20)18(22)13-5-6-16-17(11-13)24-12-23-16/h1-6,11H,7-10,12H2
InChIKeyYIIYUENPHDBERV-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.52
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 798083) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID798083
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H17FN2O3/c19-14-3-1-2-4-15(14)20-7-9-21(10-8-20)18(22)13-5-6-16-17(11-13)24-12-23-16/h1-6,11H,7-10,12H2
InChIKeyYIIYUENPHDBERV-UHFFFAOYSA-N
XLogP2.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
CID 660185
1,3-benzodioxol-5-yl-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076112
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42224330
1,3-benzodioxol-5-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565610
1,3-benzodioxol-5-yl-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108536588
[4-(2-aminobenzoyl)piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone
CID 119944182
[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone
CID 108544309
1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
CID 108537024
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 798083) is 1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is YIIYUENPHDBERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-3-1-2-4-15(14)20-7-9-21(10-8-20)18(22)13-5-6-16-17(11-13)24-12-23-16/h1-6,11H,7-10,12H2.
What are the key properties of 1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 328.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 798083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).