1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone

C15H21FN4O3 — CID 97372304

IUPAC1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C15H21FN4O3/c1-22-10-13(21)19-4-2-15(3-5-19)11-20(6-7-23-15)14-17-8-12(16)9-18-14/h8-9H,2-7,10-11H2,1H3
InChIKeyGFYCTIAJZPCGHC-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.46
Rot. Bonds3

About 1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone

1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone (PubChem CID 97372304) has the molecular formula C15H21FN4O3 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
PubChem CID97372304
Molecular FormulaC15H21FN4O3
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC Name1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C15H21FN4O3/c1-22-10-13(21)19-4-2-15(3-5-19)11-20(6-7-23-15)14-17-8-12(16)9-18-14/h8-9H,2-7,10-11H2,1H3
InChIKeyGFYCTIAJZPCGHC-UHFFFAOYSA-N
XLogP0.46
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone with MolForge

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Related Compounds

2-Methoxy-1-(2-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3234225
2-Methoxy-1-(9-(pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 3235149
9-(Cyclopropylmethyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97372524
9-(2-Methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97372525
9-(Cyclobutylmethyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97385658
2-Cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450997
2-(Dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450998
2-Methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450999
4-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97451007
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
9-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471364
[4-[(2-Methoxypyrimidin-5-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 110268377

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone (CID 97372304) is 1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone is COCC(=O)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2.
What is the InChIKey of 1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone?
The InChIKey is GFYCTIAJZPCGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O3/c1-22-10-13(21)19-4-2-15(3-5-19)11-20(6-7-23-15)14-17-8-12(16)9-18-14/h8-9H,2-7,10-11H2,1H3.
What are the key properties of 1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone?
1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone has a molecular weight of 324.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone is sourced from PubChem (CID 97372304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).