N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide

C16H23FN4O3 — CID 97486452

IUPACN-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C16H23FN4O3/c1-23-11-14(22)20-13-10-24-7-4-16(13)2-5-21(6-3-16)15-18-8-12(17)9-19-15/h8-9,13H,2-7,10-11H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyWJXMVMXYSOTNHP-CYBMUJFWSA-N
MW338.38 g/mol
LogP0.75
Rot. Bonds4

About N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide

N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide (PubChem CID 97486452) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide
PubChem CID97486452
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC NameN-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C16H23FN4O3/c1-23-11-14(22)20-13-10-24-7-4-16(13)2-5-21(6-3-16)15-18-8-12(17)9-19-15/h8-9,13H,2-7,10-11H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyWJXMVMXYSOTNHP-CYBMUJFWSA-N
XLogP0.75
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 118738935
N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 118738936
9-(5-methylpyrimidin-2-yl)-N-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 118738938
1-(4-((5-Fluoro-4-morpholinopyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172591486
trans-N-(4-((5-fluoro-4-morpholinopyrimidin-2-yl)amino)cyclohexyl)acetamide
CID 172592025
1'-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-1,4'-bipiperidine-3-carboxamide
CID 56863879
(2S)-N-[(2R,3S)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]oxolane-2-carboxamide
CID 153382000
(2S,3R)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethyl-3-[[(2S)-oxolane-2-carbonyl]amino]piperidine-1-carboxamide
CID 156311181
(2R,3S)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethyl-3-[[(2S)-oxolane-2-carbonyl]amino]piperidine-1-carboxamide
CID 156311183
2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethyl-3-[[(2S)-oxolane-2-carbonyl]amino]piperidine-1-carboxamide
CID 156311184
(2S)-N-[(2S,3R)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]oxolane-2-carboxamide
CID 156311190
(2S)-N-[2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]oxolane-2-carboxamide
CID 156311201

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide?
The IUPAC name of N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide (CID 97486452) is N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide?
The InChIKey is WJXMVMXYSOTNHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-23-11-14(22)20-13-10-24-7-4-16(13)2-5-21(6-3-16)15-18-8-12(17)9-19-15/h8-9,13H,2-7,10-11H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide?
N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide has a molecular weight of 338.38 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]-2-methoxyacetamide is sourced from PubChem (CID 97486452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).