4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one

C21H26FNO4 — CID 118784215

IUPAC4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
SMILESO=C1CC(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C2(CCCCC2)O1
InChIInChI=1S/C21H26FNO4/c22-15-4-6-16(7-5-15)26-17-8-12-23(13-9-17)20(25)18-14-19(24)27-21(18)10-2-1-3-11-21/h4-7,17-18H,1-3,8-14H2
InChIKeyRFCDSIJRWFBDFF-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.46
Rot. Bonds3

About 4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one

4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one (PubChem CID 118784215) has the molecular formula C21H26FNO4 and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
PubChem CID118784215
Molecular FormulaC21H26FNO4
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
SMILESO=C1CC(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C2(CCCCC2)O1
InChIInChI=1S/C21H26FNO4/c22-15-4-6-16(7-5-15)26-17-8-12-23(13-9-17)20(25)18-14-19(24)27-21(18)10-2-1-3-11-21/h4-7,17-18H,1-3,8-14H2
InChIKeyRFCDSIJRWFBDFF-UHFFFAOYSA-N
XLogP3.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 118788436
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119308982
4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 138380754
(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 96577029
cis-(1R,3S)-3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065602
N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 131930942
[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699020
(4S)-4-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 125160296
4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 74249533
trans-(1R,2R)-2-[4-(4-fluorophenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119735
[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone
CID 119308981

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one (CID 118784215) is 4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one is O=C1CC(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)C2(CCCCC2)O1.
What is the InChIKey of 4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The InChIKey is RFCDSIJRWFBDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO4/c22-15-4-6-16(7-5-15)26-17-8-12-23(13-9-17)20(25)18-14-19(24)27-21(18)10-2-1-3-11-21/h4-7,17-18H,1-3,8-14H2.
What are the key properties of 4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one has a molecular weight of 375.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 118784215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).