2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C16H22FN3O2 — CID 72907338

IUPAC2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3ccc(F)cn3)C2)C1=O
InChIInChI=1S/C16H22FN3O2/c1-22-10-9-19-7-2-5-16(15(19)21)6-8-20(12-16)14-4-3-13(17)11-18-14/h3-4,11H,2,5-10,12H2,1H3
InChIKeyNACDIVYRBKBEPL-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.69
Rot. Bonds4

About 2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72907338) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72907338
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3ccc(F)cn3)C2)C1=O
InChIInChI=1S/C16H22FN3O2/c1-22-10-9-19-7-2-5-16(15(19)21)6-8-20(12-16)14-4-3-13(17)11-18-14/h3-4,11H,2,5-10,12H2,1H3
InChIKeyNACDIVYRBKBEPL-UHFFFAOYSA-N
XLogP1.69
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(5R)-2-[6-(4-fluorophenyl)pyridazin-3-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97204731
6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
CID 134075055
(5S)-7-(2-methoxyethyl)-2-(8-methoxyquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97197201
(5R)-7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117399
2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72861946
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615
(5S)-2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119601
(5R)-7-cyclopentyl-2-(5-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147036
(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97118355
(5R)-2-(3,5-dichloro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97205529
6-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 97145855
2-(4-ethyl-5-methylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937971

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72907338) is 2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(c3ccc(F)cn3)C2)C1=O.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NACDIVYRBKBEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-22-10-9-19-7-2-5-16(15(19)21)6-8-20(12-16)14-4-3-13(17)11-18-14/h3-4,11H,2,5-10,12H2,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 307.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72907338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).