9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

C15H18FN3O2 — CID 131658395

IUPAC9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESO=C(c1cncc(F)c1)N1CCCC2(CCNC2=O)CC1
InChIInChI=1S/C15H18FN3O2/c16-12-8-11(9-17-10-12)13(20)19-6-1-2-15(4-7-19)3-5-18-14(15)21/h8-10H,1-7H2,(H,18,21)
InChIKeyOSFLMLWBQWRXLU-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.35
Rot. Bonds1

About 9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (PubChem CID 131658395) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
PubChem CID131658395
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESO=C(c1cncc(F)c1)N1CCCC2(CCNC2=O)CC1
InChIInChI=1S/C15H18FN3O2/c16-12-8-11(9-17-10-12)13(20)19-6-1-2-15(4-7-19)3-5-18-14(15)21/h8-10H,1-7H2,(H,18,21)
InChIKeyOSFLMLWBQWRXLU-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(5-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 115694744
1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 113452823
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone
CID 113340544
9-(5-methylfuran-2-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131653156
1'-(5-fluoropyridine-3-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155501703
9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
CID 171914992
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895110
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 107406442
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 102978428
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The IUPAC name of 9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (CID 131658395) is 9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for 9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for 9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is O=C(c1cncc(F)c1)N1CCCC2(CCNC2=O)CC1.
What is the InChIKey of 9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The InChIKey is OSFLMLWBQWRXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-12-8-11(9-17-10-12)13(20)19-6-1-2-15(4-7-19)3-5-18-14(15)21/h8-10H,1-7H2,(H,18,21).
What are the key properties of 9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one has a molecular weight of 291.33 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 131658395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).