9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one

C15H19N3O2 — CID 118742235

IUPAC9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(C(=O)Cc3cccnc3)C2)N1
InChIInChI=1S/C15H19N3O2/c19-13-4-6-15(17-13)5-2-8-18(11-15)14(20)9-12-3-1-7-16-10-12/h1,3,7,10H,2,4-6,8-9,11H2,(H,17,19)
InChIKeyGZSFAOZBBSBNBY-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.90
Rot. Bonds2

About 9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one

9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 118742235) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID118742235
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(C(=O)Cc3cccnc3)C2)N1
InChIInChI=1S/C15H19N3O2/c19-13-4-6-15(17-13)5-2-8-18(11-15)14(20)9-12-3-1-7-16-10-12/h1,3,7,10H,2,4-6,8-9,11H2,(H,17,19)
InChIKeyGZSFAOZBBSBNBY-UHFFFAOYSA-N
XLogP0.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one (CID 118742235) is 9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCCN(C(=O)Cc3cccnc3)C2)N1.
What is the InChIKey of 9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is GZSFAOZBBSBNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-13-4-6-15(17-13)5-2-8-18(11-15)14(20)9-12-3-1-7-16-10-12/h1,3,7,10H,2,4-6,8-9,11H2,(H,17,19).
What are the key properties of 9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one?
9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 273.34 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118742235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).