3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one

C13H17N3O — CID 131872715

IUPAC3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NC(c2ccccn2)CC12CCNCC2
InChIInChI=1S/C13H17N3O/c17-12-13(4-7-14-8-5-13)9-11(16-12)10-3-1-2-6-15-10/h1-3,6,11,14H,4-5,7-9H2,(H,16,17)
InChIKeyXMNCGGBVEYBTCW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.01
Rot. Bonds1

About 3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one

3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 131872715) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID131872715
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NC(c2ccccn2)CC12CCNCC2
InChIInChI=1S/C13H17N3O/c17-12-13(4-7-14-8-5-13)9-11(16-12)10-3-1-2-6-15-10/h1-3,6,11,14H,4-5,7-9H2,(H,16,17)
InChIKeyXMNCGGBVEYBTCW-UHFFFAOYSA-N
XLogP1.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 21151674
3-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 132647894
2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
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CID 131099738
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(5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95201770
2-(4-methylpiperidin-4-yl)oxypyridine
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CID 153321398

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one (CID 131872715) is 3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one is O=C1NC(c2ccccn2)CC12CCNCC2.
What is the InChIKey of 3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is XMNCGGBVEYBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-12-13(4-7-14-8-5-13)9-11(16-12)10-3-1-2-6-15-10/h1-3,6,11,14H,4-5,7-9H2,(H,16,17).
What are the key properties of 3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 231.30 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131872715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).