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

C15H20F3N3O — CID 176681814

IUPAC3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1CN1CCNCC12CCCC2
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)12-4-3-11(13(22)20-12)9-21-8-7-19-10-14(21)5-1-2-6-14/h3-4,19H,1-2,5-10H2,(H,20,22)
InChIKeyLLSKLEKSUMBQMG-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.11
Rot. Bonds2

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

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 176681814) 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)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID176681814
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1CN1CCNCC12CCCC2
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)12-4-3-11(13(22)20-12)9-21-8-7-19-10-14(21)5-1-2-6-14/h3-4,19H,1-2,5-10H2,(H,20,22)
InChIKeyLLSKLEKSUMBQMG-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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Related Compounds

3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 176681937
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
CID 178850281
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
CID 178850377
1-[2-(Cyclopentylmethylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318803
2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119556389
2-oxo-N-(2-piperidin-3-ylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 119556390
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 119593999
6-methyl-N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 128985923
6-methyl-N-[(3S,6R)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 129535824
6-methyl-N-[(3R,6S)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 129535825
6-methyl-N-[(3R,6R)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 129535826
6-methyl-N-[(3S,6S)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 129535827

Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 176681814) is 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)ccc1CN1CCNCC12CCCC2.
What is the InChIKey of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is LLSKLEKSUMBQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)12-4-3-11(13(22)20-12)9-21-8-7-19-10-14(21)5-1-2-6-14/h3-4,19H,1-2,5-10H2,(H,20,22).
What are the key properties of 3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-6-(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)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 176681814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).