[2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone

C17H23FN4O3 — CID 118739029

IUPAC[2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(c2ncc(F)cn2)CC12CCOCC2)N1CCOCC1
InChIInChI=1S/C17H23FN4O3/c18-13-9-19-16(20-10-13)22-11-14(15(23)21-3-7-25-8-4-21)17(12-22)1-5-24-6-2-17/h9-10,14H,1-8,11-12H2
InChIKeyHCFPPNVEHALFGQ-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.71
Rot. Bonds2

About [2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone

[2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone (PubChem CID 118739029) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
PubChem CID118739029
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(c2ncc(F)cn2)CC12CCOCC2)N1CCOCC1
InChIInChI=1S/C17H23FN4O3/c18-13-9-19-16(20-10-13)22-11-14(15(23)21-3-7-25-8-4-21)17(12-22)1-5-24-6-2-17/h9-10,14H,1-8,11-12H2
InChIKeyHCFPPNVEHALFGQ-UHFFFAOYSA-N
XLogP0.71
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone (CID 118739029) is [2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone is O=C(C1CN(c2ncc(F)cn2)CC12CCOCC2)N1CCOCC1.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The InChIKey is HCFPPNVEHALFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c18-13-9-19-16(20-10-13)22-11-14(15(23)21-3-7-25-8-4-21)17(12-22)1-5-24-6-2-17/h9-10,14H,1-8,11-12H2.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
[2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone has a molecular weight of 350.39 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118739029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).