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

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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).