3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one

C15H20F3N3O — CID 176681937

IUPAC3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1CN1CCNCC12CCCC2
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)12-7-11(13(22)20-8-12)9-21-6-5-19-10-14(21)3-1-2-4-14/h7-8,19H,1-6,9-10H2,(H,20,22)
InChIKeyIZRFAPAWVWKZBT-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.11
Rot. Bonds2

About 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 176681937) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID176681937
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1CN1CCNCC12CCCC2
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)12-7-11(13(22)20-8-12)9-21-6-5-19-10-14(21)3-1-2-4-14/h7-8,19H,1-6,9-10H2,(H,20,22)
InChIKeyIZRFAPAWVWKZBT-UHFFFAOYSA-N
XLogP2.11
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 176681937) is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)cc1CN1CCNCC12CCCC2.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is IZRFAPAWVWKZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)12-7-11(13(22)20-8-12)9-21-6-5-19-10-14(21)3-1-2-4-14/h7-8,19H,1-6,9-10H2,(H,20,22).
What are the key properties of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 315.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 176681937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).