8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C13H15N3O3 — CID 110668803

IUPAC8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(=O)c3cccnc3)CC2)O1
InChIInChI=1S/C13H15N3O3/c17-11(10-2-1-5-14-8-10)16-6-3-13(4-7-16)9-15-12(18)19-13/h1-2,5,8H,3-4,6-7,9H2,(H,15,18)
InChIKeyNQPHUBANKHTLIW-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.80
Rot. Bonds1

About 8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 110668803) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID110668803
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(C(=O)c3cccnc3)CC2)O1
InChIInChI=1S/C13H15N3O3/c17-11(10-2-1-5-14-8-10)16-6-3-13(4-7-16)9-15-12(18)19-13/h1-2,5,8H,3-4,6-7,9H2,(H,15,18)
InChIKeyNQPHUBANKHTLIW-UHFFFAOYSA-N
XLogP0.80
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(pyridine-3-carbonyl)-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

Related Compounds

8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 147984267
(5R)-9-(2-pyridin-3-ylacetyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95714313
8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668800
1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493701
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
(4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 142181513
1'-(pyridine-3-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375619
2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 154589259
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
pyridin-3-yl-[(3S)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418982
1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618442
8-[3-(2-oxochromen-3-yl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 171907092

Frequently Asked Questions

What is the IUPAC name of 8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 110668803) is 8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(C(=O)c3cccnc3)CC2)O1.
What is the InChIKey of 8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NQPHUBANKHTLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-11(10-2-1-5-14-8-10)16-6-3-13(4-7-16)9-15-12(18)19-13/h1-2,5,8H,3-4,6-7,9H2,(H,15,18).
What are the key properties of 8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 261.28 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 110668803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).