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

C20H27FN2O2 — CID 162632415

IUPAC1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)CCc2cccc(F)c2)C1=O
InChIInChI=1S/C20H27FN2O2/c1-15(2)22-12-4-10-20(19(22)25)11-5-13-23(20)18(24)9-8-16-6-3-7-17(21)14-16/h3,6-7,14-15H,4-5,8-13H2,1-2H3
InChIKeyDSDPGEWCVUBGJS-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.15
Rot. Bonds4

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

1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162632415) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162632415
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)CCc2cccc(F)c2)C1=O
InChIInChI=1S/C20H27FN2O2/c1-15(2)22-12-4-10-20(19(22)25)11-5-13-23(20)18(24)9-8-16-6-3-7-17(21)14-16/h3,6-7,14-15H,4-5,8-13H2,1-2H3
InChIKeyDSDPGEWCVUBGJS-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162629332
9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627495
1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one
CID 110421813
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635318
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
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635282
3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 110662361
1-[4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797745

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (CID 162632415) is 1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is CC(C)N1CCCC2(CCCN2C(=O)CCc2cccc(F)c2)C1=O.
What is the InChIKey of 1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is DSDPGEWCVUBGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-15(2)22-12-4-10-20(19(22)25)11-5-13-23(20)18(24)9-8-16-6-3-7-17(21)14-16/h3,6-7,14-15H,4-5,8-13H2,1-2H3.
What are the key properties of 1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 346.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)propanoyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162632415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).