2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide

C16H24FN3O3 — CID 131683981

IUPAC2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)CCC12CCN(C(=O)C1(F)CC1)CC2
InChIInChI=1S/C16H24FN3O3/c1-18(2)13(22)11-20-12(21)3-4-15(20)7-9-19(10-8-15)14(23)16(17)5-6-16/h3-11H2,1-2H3
InChIKeyJFOYJZBALSWHND-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.56
Rot. Bonds3

About 2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide

2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide (PubChem CID 131683981) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
PubChem CID131683981
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)CCC12CCN(C(=O)C1(F)CC1)CC2
InChIInChI=1S/C16H24FN3O3/c1-18(2)13(22)11-20-12(21)3-4-15(20)7-9-19(10-8-15)14(23)16(17)5-6-16/h3-11H2,1-2H3
InChIKeyJFOYJZBALSWHND-UHFFFAOYSA-N
XLogP0.56
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide (CID 131683981) is 2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1C(=O)CCC12CCN(C(=O)C1(F)CC1)CC2.
What is the InChIKey of 2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
The InChIKey is JFOYJZBALSWHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-18(2)13(22)11-20-12(21)3-4-15(20)7-9-19(10-8-15)14(23)16(17)5-6-16/h3-11H2,1-2H3.
What are the key properties of 2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?
2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide has a molecular weight of 325.38 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(1-fluorocyclopropanecarbonyl)-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 131683981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).