4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one

C20H25FN2O3 — CID 16766204

IUPAC4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
SMILESO=C1CC(C(=O)N2CCN(c3ccc(F)cc3)CC2)C2(CCCCC2)O1
InChIInChI=1S/C20H25FN2O3/c21-15-4-6-16(7-5-15)22-10-12-23(13-11-22)19(25)17-14-18(24)26-20(17)8-2-1-3-9-20/h4-7,17H,1-3,8-14H2
InChIKeyWZYTYBROOAQVKS-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.74
Rot. Bonds2

About 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one

4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one (PubChem CID 16766204) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
PubChem CID16766204
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
SMILESO=C1CC(C(=O)N2CCN(c3ccc(F)cc3)CC2)C2(CCCCC2)O1
InChIInChI=1S/C20H25FN2O3/c21-15-4-6-16(7-5-15)22-10-12-23(13-11-22)19(25)17-14-18(24)26-20(17)8-2-1-3-9-20/h4-7,17H,1-3,8-14H2
InChIKeyWZYTYBROOAQVKS-UHFFFAOYSA-N
XLogP2.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Oxaspiro(4.5)decane-4-carboxamide, 2-oxo-N-phenyl-
CID 208038
[4-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-8,11-dimethyl-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-1-yl] acetate
CID 44565361
(1S,2R,3S,4R)-3-(4-phenylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51400166
US9802924, Entry 22
CID 86274103
2(3H)-Furanone, dihydro-4-phenyl-3-((4-phenyl-1-piperazinyl)methyl)-
CID 3062958
4-[4-(4-Fluorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 10317174
3-Methyl-4-(4-phenylpiperazine-1-carbonyl)-1-oxaspiro[4.5]dec-3-en-2-one
CID 10498345
2-[(4-Phenylpiperazin-1-yl)carbonyl]cyclohexanecarboxylic acid
CID 2933500
3-{[4-(2-Fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
CID 3561982
2-{[4-(4-Fluorophenyl)-1-piperazinyl]carbonyl}cyclohexanecarboxylic acid
CID 2886463
3-{[4-(4-Fluorophenyl)piperazin-1-yl]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 2887346
(1R,2R,3S,4S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 25752095

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one (CID 16766204) is 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one is O=C1CC(C(=O)N2CCN(c3ccc(F)cc3)CC2)C2(CCCCC2)O1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The InChIKey is WZYTYBROOAQVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c21-15-4-6-16(7-5-15)22-10-12-23(13-11-22)19(25)17-14-18(24)26-20(17)8-2-1-3-9-20/h4-7,17H,1-3,8-14H2.
What are the key properties of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one has a molecular weight of 360.43 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 16766204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).