9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H24FN3O3 — CID 98897253

IUPAC9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1ccncc1F)CC2
InChIInChI=1S/C18H24FN3O3/c1-25-11-10-22-13-18(4-2-16(22)23)5-8-21(9-6-18)17(24)14-3-7-20-12-15(14)19/h3,7,12H,2,4-6,8-11,13H2,1H3
InChIKeyHOILWEUTYXSOTN-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.71
Rot. Bonds4

About 9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 98897253) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID98897253
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1ccncc1F)CC2
InChIInChI=1S/C18H24FN3O3/c1-25-11-10-22-13-18(4-2-16(22)23)5-8-21(9-6-18)17(24)14-3-7-20-12-15(14)19/h3,7,12H,2,4-6,8-11,13H2,1H3
InChIKeyHOILWEUTYXSOTN-UHFFFAOYSA-N
XLogP1.71
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-fluoro-4-methylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72906926
9-(2,5-dimethylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72858674
2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124814570
2-ethyl-9-(4-methylpyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897107
N-(2-fluorophenyl)-2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72863104
2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264
2-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98894775
9-(4-chloro-1-methylpyrrole-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72877994
2-(2-methoxyethyl)-9-(1-phenylcyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72889857
2-(2-methoxyethyl)-8-(5-methyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896118
1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 115646355
2-(2-methoxyethyl)-9-[3-(4-methylpyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72905510

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 98897253) is 9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)c1ccncc1F)CC2.
What is the InChIKey of 9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HOILWEUTYXSOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-25-11-10-22-13-18(4-2-16(22)23)5-8-21(9-6-18)17(24)14-3-7-20-12-15(14)19/h3,7,12H,2,4-6,8-11,13H2,1H3.
What are the key properties of 9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 349.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 98897253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).