1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one

C19H25FN2O3 — CID 162635282

IUPAC1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(CCc1ccccc1F)N1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C19H25FN2O3/c20-16-6-2-1-5-15(16)7-8-17(24)22-12-4-10-19(22)9-3-11-21(13-14-23)18(19)25/h1-2,5-6,23H,3-4,7-14H2
InChIKeyGPBYFURPPJRDLH-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.73
Rot. Bonds5

About 1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one

1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162635282) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162635282
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(CCc1ccccc1F)N1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C19H25FN2O3/c20-16-6-2-1-5-15(16)7-8-17(24)22-12-4-10-19(22)9-3-11-21(13-14-23)18(19)25/h1-2,5-6,23H,3-4,7-14H2
InChIKeyGPBYFURPPJRDLH-UHFFFAOYSA-N
XLogP1.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 115270582
9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628852
1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634668
1-[3-(2,4-dimethylphenyl)propanoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162625940
1-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628738
1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 163313724
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512
9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633347
1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164692870

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162635282) is 1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one is O=C(CCc1ccccc1F)N1CCCC12CCCN(CCO)C2=O.
What is the InChIKey of 1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is GPBYFURPPJRDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-16-6-2-1-5-15(16)7-8-17(24)22-12-4-10-19(22)9-3-11-21(13-14-23)18(19)25/h1-2,5-6,23H,3-4,7-14H2.
What are the key properties of 1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 348.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162635282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).