8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C20H27FN2O3 — CID 72936310

IUPAC8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)CC1=O
InChIInChI=1S/C20H27FN2O3/c1-15(2)12-23-14-20(11-18(23)24)7-9-22(10-8-20)19(25)13-26-17-5-3-16(21)4-6-17/h3-6,15H,7-14H2,1-2H3
InChIKeyUMJANPMLMRXCPZ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.70
Rot. Bonds5

About 8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72936310) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is 8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72936310
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)CC1=O
InChIInChI=1S/C20H27FN2O3/c1-15(2)12-23-14-20(11-18(23)24)7-9-22(10-8-20)19(25)13-26-17-5-3-16(21)4-6-17/h3-6,15H,7-14H2,1-2H3
InChIKeyUMJANPMLMRXCPZ-UHFFFAOYSA-N
XLogP2.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(2R)-2-fluoro-2-phenylacetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97139736
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 72849958
8-(2H-benzotriazole-5-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72871236
1-[2-(4-fluorophenoxy)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146320
1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(4-fluorophenoxy)ethanone
CID 91921747
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119727742
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
2-(4-fluorophenoxy)-1-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone
CID 25452506
1-(6-azaspiro[2.5]octan-6-yl)-2-[4-[(E)-C-ethyl-N-[(4-fluorophenyl)methoxy]carbonimidoyl]phenoxy]ethanone
CID 90021317
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70750695
2-(4-fluorophenoxy)-1-[3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131651656

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72936310) is 8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)CN1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)CC1=O.
What is the InChIKey of 8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is UMJANPMLMRXCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-15(2)12-23-14-20(11-18(23)24)7-9-22(10-8-20)19(25)13-26-17-5-3-16(21)4-6-17/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 362.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-fluorophenoxy)acetyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72936310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).