3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C12H15N3O2 — CID 66784228

IUPAC3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1c1ccncc1
InChIInChI=1S/C12H15N3O2/c16-11-15(10-1-5-13-6-2-10)9-12(17-11)3-7-14-8-4-12/h1-2,5-6,14H,3-4,7-9H2
InChIKeyAXWRKBTULUPFIV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.16
Rot. Bonds1

About 3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66784228) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66784228
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1c1ccncc1
InChIInChI=1S/C12H15N3O2/c16-11-15(10-1-5-13-6-2-10)9-12(17-11)3-7-14-8-4-12/h1-2,5-6,14H,3-4,7-9H2
InChIKeyAXWRKBTULUPFIV-UHFFFAOYSA-N
XLogP1.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66784228) is 3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCNCC2)CN1c1ccncc1.
What is the InChIKey of 3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AXWRKBTULUPFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-11-15(10-1-5-13-6-2-10)9-12(17-11)3-7-14-8-4-12/h1-2,5-6,14H,3-4,7-9H2.
What are the key properties of 3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66784228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).