9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one

C17H22FN3O3 — CID 171914992

IUPAC9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOC1CN(C)C(=O)C2(CCN(C(=O)c3cncc(F)c3)CC2)C1
InChIInChI=1S/C17H22FN3O3/c1-20-11-14(24-2)8-17(16(20)23)3-5-21(6-4-17)15(22)12-7-13(18)10-19-9-12/h7,9-10,14H,3-6,8,11H2,1-2H3
InChIKeyBBVHPJYCHXAJCB-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.32
Rot. Bonds2

About 9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one

9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 171914992) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID171914992
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOC1CN(C)C(=O)C2(CCN(C(=O)c3cncc(F)c3)CC2)C1
InChIInChI=1S/C17H22FN3O3/c1-20-11-14(24-2)8-17(16(20)23)3-5-21(6-4-17)15(22)12-7-13(18)10-19-9-12/h7,9-10,14H,3-6,8,11H2,1-2H3
InChIKeyBBVHPJYCHXAJCB-UHFFFAOYSA-N
XLogP1.32
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131658395
2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
CID 139012982
4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 171912115
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone
CID 131663291
methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate
CID 115694818
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 104786148
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655
(5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896792
(5-fluoro-3-pyridinyl)-[4-(propan-2-yloxymethyl)piperidin-1-yl]methanone
CID 118790419

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one (CID 171914992) is 9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one is COC1CN(C)C(=O)C2(CCN(C(=O)c3cncc(F)c3)CC2)C1.
What is the InChIKey of 9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is BBVHPJYCHXAJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-20-11-14(24-2)8-17(16(20)23)3-5-21(6-4-17)15(22)12-7-13(18)10-19-9-12/h7,9-10,14H,3-6,8,11H2,1-2H3.
What are the key properties of 9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one?
9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 335.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 171914992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).