1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one

C20H28FN3O2 — CID 167764287

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCC2(CCOC2)C1
InChIInChI=1S/C20H28FN3O2/c1-16(24-8-6-20(14-24)7-13-26-15-20)19(25)23-11-9-22(10-12-23)18-4-2-17(21)3-5-18/h2-5,16H,6-15H2,1H3
InChIKeyQWEVHNWADSMAPM-UHFFFAOYSA-N
MW361.46 g/mol
LogP1.98
Rot. Bonds3

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one (PubChem CID 167764287) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one
PubChem CID167764287
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCC2(CCOC2)C1
InChIInChI=1S/C20H28FN3O2/c1-16(24-8-6-20(14-24)7-13-26-15-20)19(25)23-11-9-22(10-12-23)18-4-2-17(21)3-5-18/h2-5,16H,6-15H2,1H3
InChIKeyQWEVHNWADSMAPM-UHFFFAOYSA-N
XLogP1.98
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110884135
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119375838
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
(3S)-1-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 94461656
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione
CID 127038607
N-[1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]piperidin-4-yl]methanesulfonamide
CID 78842204
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46614351
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 78897651
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one (CID 167764287) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one is CC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCC2(CCOC2)C1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one?
The InChIKey is QWEVHNWADSMAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-16(24-8-6-20(14-24)7-13-26-15-20)19(25)23-11-9-22(10-12-23)18-4-2-17(21)3-5-18/h2-5,16H,6-15H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one has a molecular weight of 361.46 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one is sourced from PubChem (CID 167764287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).