8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C14H16F3N3O2 — CID 144930259

IUPAC8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cncc(C(F)(F)F)c1N1CCC2(CC1)CNC(=O)O2
InChIInChI=1S/C14H16F3N3O2/c1-9-6-18-7-10(14(15,16)17)11(9)20-4-2-13(3-5-20)8-19-12(21)22-13/h6-7H,2-5,8H2,1H3,(H,19,21)
InChIKeyQHHBTLJOYFNRMZ-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.49
Rot. Bonds1

About 8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 144930259) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID144930259
Molecular FormulaC14H16F3N3O2
Molecular Weight315.29 g/mol
Exact Mass315.12
IUPAC Name8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cncc(C(F)(F)F)c1N1CCC2(CC1)CNC(=O)O2
InChIInChI=1S/C14H16F3N3O2/c1-9-6-18-7-10(14(15,16)17)11(9)20-4-2-13(3-5-20)8-19-12(21)22-13/h6-7H,2-5,8H2,1H3,(H,19,21)
InChIKeyQHHBTLJOYFNRMZ-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(2-pyridyl)ethyl)-
CID 212038
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-pyridyl)ethyl)-, dihydrochloride
CID 212039
8-{[6-(Trifluoromethyl)-3-pyridinyl]methyl}-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
CID 56904239
8-(3-Fluoropyridin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 132410037
Tert-butyl 8-[3-(trifluoromethyl)pyridin-4-yl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66701017
3-(2-Fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66784229
N-Boc-1-[5-(trifluoromethyl)-3-pyridyl]methanamine
CID 69283159
Tert-butyl 4-[[[3-methyl-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 69830449
8-(3-Amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 90212229
8-[3-Iodo-5-(trifluoromethyl)pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 118395134
8-(3-Bromo-5-fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 118408026
8-(3-Fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 123803359

Frequently Asked Questions

What is the IUPAC name of 8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 144930259) is 8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cncc(C(F)(F)F)c1N1CCC2(CC1)CNC(=O)O2.
What is the InChIKey of 8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is QHHBTLJOYFNRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-9-6-18-7-10(14(15,16)17)11(9)20-4-2-13(3-5-20)8-19-12(21)22-13/h6-7H,2-5,8H2,1H3,(H,19,21).
What are the key properties of 8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 315.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-methyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 144930259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).