2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one

C13H17N3O — CID 57439966

IUPAC2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccncc2)CCC12CCCNC2
InChIInChI=1S/C13H17N3O/c17-12-13(4-1-6-15-10-13)5-9-16(12)11-2-7-14-8-3-11/h2-3,7-8,15H,1,4-6,9-10H2
InChIKeyIKNLVLLNGGCJLI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.19
Rot. Bonds1

About 2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one

2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 57439966) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID57439966
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccncc2)CCC12CCCNC2
InChIInChI=1S/C13H17N3O/c17-12-13(4-1-6-15-10-13)5-9-16(12)11-2-7-14-8-3-11/h2-3,7-8,15H,1,4-6,9-10H2
InChIKeyIKNLVLLNGGCJLI-UHFFFAOYSA-N
XLogP1.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one (CID 57439966) is 2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2ccncc2)CCC12CCCNC2.
What is the InChIKey of 2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is IKNLVLLNGGCJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-12-13(4-1-6-15-10-13)5-9-16(12)11-2-7-14-8-3-11/h2-3,7-8,15H,1,4-6,9-10H2.
What are the key properties of 2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one?
2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 231.30 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 57439966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).