4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C14H16F3N3O2 — CID 66783781

IUPAC4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNCC2)CN1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)11-2-1-10(7-19-11)20-9-13(22-8-12(20)21)3-5-18-6-4-13/h1-2,7,18H,3-6,8-9H2
InChIKeyCWPZSKLQYUSQBY-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.59
Rot. Bonds1

About 4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 66783781) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID66783781
Molecular FormulaC14H16F3N3O2
Molecular Weight315.29 g/mol
Exact Mass315.12
IUPAC Name4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNCC2)CN1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H16F3N3O2/c15-14(16,17)11-2-1-10(7-19-11)20-9-13(22-8-12(20)21)3-5-18-6-4-13/h1-2,7,18H,3-6,8-9H2
InChIKeyCWPZSKLQYUSQBY-UHFFFAOYSA-N
XLogP1.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 66783781) is 4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCNCC2)CN1c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CWPZSKLQYUSQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c15-14(16,17)11-2-1-10(7-19-11)20-9-13(22-8-12(20)21)3-5-18-6-4-13/h1-2,7,18H,3-6,8-9H2.
What are the key properties of 4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 315.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethyl)-3-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 66783781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).