8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

C17H21FN2O3 — CID 70761976

IUPAC8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(C(=O)Cc3ccc(O)c(F)c3)CC2)CC1=O
InChIInChI=1S/C17H21FN2O3/c1-19-11-17(10-16(19)23)4-6-20(7-5-17)15(22)9-12-2-3-14(21)13(18)8-12/h2-3,8,21H,4-7,9-11H2,1H3
InChIKeyRXTDNQTZLJLEKW-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.54
Rot. Bonds2

About 8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70761976) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70761976
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(C(=O)Cc3ccc(O)c(F)c3)CC2)CC1=O
InChIInChI=1S/C17H21FN2O3/c1-19-11-17(10-16(19)23)4-6-20(7-5-17)15(22)9-12-2-3-14(21)13(18)8-12/h2-3,8,21H,4-7,9-11H2,1H3
InChIKeyRXTDNQTZLJLEKW-UHFFFAOYSA-N
XLogP1.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 133121724
2-[2-(3,4-difluorophenyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205435
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 120809329
2-[(3,4-difluorophenyl)methyl]-8-(3-methylsulfanylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70721853
7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 134070062
1-[2-(4-bromo-3-fluorophenyl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528184
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162629332
4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide
CID 70788911
2-fluoro-4-(2-methylprop-2-enyl)phenol
CID 142516267
8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 95895519
2-methyl-9-[2-[2-(trifluoromethyl)phenyl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72939452

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 70761976) is 8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(C(=O)Cc3ccc(O)c(F)c3)CC2)CC1=O.
What is the InChIKey of 8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RXTDNQTZLJLEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-19-11-17(10-16(19)23)4-6-20(7-5-17)15(22)9-12-2-3-14(21)13(18)8-12/h2-3,8,21H,4-7,9-11H2,1H3.
What are the key properties of 8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 320.36 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70761976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).