[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone

C18H19FN2O4 — CID 37375804

IUPAC[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2cc(F)cc3c2OCOC3)CC1
InChIInChI=1S/C18H19FN2O4/c19-15-8-13(17-14(9-15)11-23-12-25-17)10-20-3-5-21(6-4-20)18(22)16-2-1-7-24-16/h1-2,7-9H,3-6,10-12H2
InChIKeyIXCSGXCXKKIUKT-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.24
Rot. Bonds3

About [4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 37375804) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is [4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID37375804
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2cc(F)cc3c2OCOC3)CC1
InChIInChI=1S/C18H19FN2O4/c19-15-8-13(17-14(9-15)11-23-12-25-17)10-20-3-5-21(6-4-20)18(22)16-2-1-7-24-16/h1-2,7-9H,3-6,10-12H2
InChIKeyIXCSGXCXKKIUKT-UHFFFAOYSA-N
XLogP2.24
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone
CID 139562777
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine
CID 17482114
[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 131939511
[9-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 68968092
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
furan-2-yl-[4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-yl]methanone
CID 3861557
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37399827
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
CID 2779909
7-[[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112798970
N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide
CID 46055934
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763

Frequently Asked Questions

What is the IUPAC name of [4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 37375804) is [4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2cc(F)cc3c2OCOC3)CC1.
What is the InChIKey of [4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is IXCSGXCXKKIUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c19-15-8-13(17-14(9-15)11-23-12-25-17)10-20-3-5-21(6-4-20)18(22)16-2-1-7-24-16/h1-2,7-9H,3-6,10-12H2.
What are the key properties of [4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 346.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 37375804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).