2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide

C16H22FN5O2 — CID 118738969

IUPAC2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC2(CCCN(c3ncc(F)cn3)C2)C1=O
InChIInChI=1S/C16H22FN5O2/c1-20(2)13(23)10-21-7-5-16(14(21)24)4-3-6-22(11-16)15-18-8-12(17)9-19-15/h8-9H,3-7,10-11H2,1-2H3
InChIKeyQFCCJHZKUJRQSX-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.52
Rot. Bonds3

About 2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide

2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide (PubChem CID 118738969) has the molecular formula C16H22FN5O2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide
PubChem CID118738969
Molecular FormulaC16H22FN5O2
Molecular Weight335.38 g/mol
Exact Mass335.18
IUPAC Name2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC2(CCCN(c3ncc(F)cn3)C2)C1=O
InChIInChI=1S/C16H22FN5O2/c1-20(2)13(23)10-21-7-5-16(14(21)24)4-3-6-22(11-16)15-18-8-12(17)9-19-15/h8-9H,3-7,10-11H2,1-2H3
InChIKeyQFCCJHZKUJRQSX-UHFFFAOYSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide (CID 118738969) is 2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC2(CCCN(c3ncc(F)cn3)C2)C1=O.
What is the InChIKey of 2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide?
The InChIKey is QFCCJHZKUJRQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O2/c1-20(2)13(23)10-21-7-5-16(14(21)24)4-3-6-22(11-16)15-18-8-12(17)9-19-15/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of 2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide?
2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide has a molecular weight of 335.38 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 118738969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).