1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

C19H25FN2O3 — CID 162629332

IUPAC1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)Cc2ccc(O)c(F)c2)C1=O
InChIInChI=1S/C19H25FN2O3/c1-13(2)21-9-3-7-19(18(21)25)8-4-10-22(19)17(24)12-14-5-6-16(23)15(20)11-14/h5-6,11,13,23H,3-4,7-10,12H2,1-2H3
InChIKeyOXPURHXTHKYUJY-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.47
Rot. Bonds3

About 1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162629332) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162629332
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)Cc2ccc(O)c(F)c2)C1=O
InChIInChI=1S/C19H25FN2O3/c1-13(2)21-9-3-7-19(18(21)25)8-4-10-22(19)17(24)12-14-5-6-16(23)15(20)11-14/h5-6,11,13,23H,3-4,7-10,12H2,1-2H3
InChIKeyOXPURHXTHKYUJY-UHFFFAOYSA-N
XLogP2.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one with MolForge

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Related Compounds

9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627495
1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162632415
1-[2-(1H-indol-3-yl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162634428
4-methyl-2-[2-oxo-2-(10-oxo-9-propan-2-yl-1,9-diazaspiro[4.5]decan-1-yl)ethyl]phthalazin-1-one
CID 162627058
9-(2-hydroxyethyl)-1-[2-(4-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019736
9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019313
8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70761976
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629125
1-[2-(3-methoxyphenyl)acetyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162627422
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 133121724
1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162638158
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631408

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (CID 162629332) is 1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is CC(C)N1CCCC2(CCCN2C(=O)Cc2ccc(O)c(F)c2)C1=O.
What is the InChIKey of 1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is OXPURHXTHKYUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-13(2)21-9-3-7-19(18(21)25)8-4-10-22(19)17(24)12-14-5-6-16(23)15(20)11-14/h5-6,11,13,23H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 348.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162629332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).