1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone

C18H24FN3O2 — CID 167790420

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone
SMILESO=C(CN1CCC2(COC2)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H24FN3O2/c19-15-3-1-2-4-16(15)21-7-9-22(10-8-21)17(23)11-20-6-5-18(12-20)13-24-14-18/h1-4H,5-14H2
InChIKeyRIXKHCJNCVCDGV-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.20
Rot. Bonds3

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone (PubChem CID 167790420) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone
PubChem CID167790420
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone
SMILESO=C(CN1CCC2(COC2)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H24FN3O2/c19-15-3-1-2-4-16(15)21-7-9-22(10-8-21)17(23)11-20-6-5-18(12-20)13-24-14-18/h1-4H,5-14H2
InChIKeyRIXKHCJNCVCDGV-UHFFFAOYSA-N
XLogP1.20
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone with MolForge

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Related Compounds

2-(6-azaspiro[3.4]octan-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 167870965
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
2-(4-fluorophenyl)-1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37405024
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 25343856
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(sulfanylmethyl)cyclopropyl]ethanone
CID 107023624
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 60510749
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 37113340
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid
CID 154887572
(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 81179571

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone (CID 167790420) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone is O=C(CN1CCC2(COC2)C1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone?
The InChIKey is RIXKHCJNCVCDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-15-3-1-2-4-16(15)21-7-9-22(10-8-21)17(23)11-20-6-5-18(12-20)13-24-14-18/h1-4H,5-14H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone has a molecular weight of 333.41 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone is sourced from PubChem (CID 167790420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).