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

C13H16FN3O2 — CID 123803359

IUPAC8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cncc(F)c1N1CCC2(CC1)CNC(=O)O2
InChIInChI=1S/C13H16FN3O2/c1-9-6-15-7-10(14)11(9)17-4-2-13(3-5-17)8-16-12(18)19-13/h6-7H,2-5,8H2,1H3,(H,16,18)
InChIKeyWHMFQNNOHLBYMG-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.61
Rot. Bonds1

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

8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 123803359) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID123803359
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cncc(F)c1N1CCC2(CC1)CNC(=O)O2
InChIInChI=1S/C13H16FN3O2/c1-9-6-15-7-10(14)11(9)17-4-2-13(3-5-17)8-16-12(18)19-13/h6-7H,2-5,8H2,1H3,(H,16,18)
InChIKeyWHMFQNNOHLBYMG-UHFFFAOYSA-N
XLogP1.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

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
tert-Butyl N-[(6-fluoro-5-methylpyridin-3-yl)methyl]carbamate
CID 135075350
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-(6-Fluoro-3-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66783786
3-(2-Fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66784229
tert-butyl N-[(5-fluoro-3-pyridinyl)methyl]carbamate
CID 68081721
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-Ethyl-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 124024817

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 123803359) is 8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cncc(F)c1N1CCC2(CC1)CNC(=O)O2.
What is the InChIKey of 8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WHMFQNNOHLBYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-9-6-15-7-10(14)11(9)17-4-2-13(3-5-17)8-16-12(18)19-13/h6-7H,2-5,8H2,1H3,(H,16,18).
What are the key properties of 8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 265.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-5-methyl-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 123803359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).