1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone

C16H21NO3 — CID 79921687

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H21NO3/c18-15(10-13-2-1-6-17-12-13)14-3-7-20-16(11-14)4-8-19-9-5-16/h1-2,6,12,14H,3-5,7-11H2
InChIKeyZOBNUMKLRAKKGA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.17
Rot. Bonds3

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone (PubChem CID 79921687) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone
PubChem CID79921687
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H21NO3/c18-15(10-13-2-1-6-17-12-13)14-3-7-20-16(11-14)4-8-19-9-5-16/h1-2,6,12,14H,3-5,7-11H2
InChIKeyZOBNUMKLRAKKGA-UHFFFAOYSA-N
XLogP2.17
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone 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

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylacetamide
CID 77087174
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-one
CID 105119747
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one
CID 105116552
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329
2-(3-bromophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79913015
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(4-methylphenyl)ethanone
CID 79921686
2-(4-aminophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 116549498
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone
CID 79921773
2-(3,5-dimethylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79908661
2-(3,4-dimethylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79908876
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
CID 105099703

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone (CID 79921687) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone?
The InChIKey is ZOBNUMKLRAKKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(10-13-2-1-6-17-12-13)14-3-7-20-16(11-14)4-8-19-9-5-16/h1-2,6,12,14H,3-5,7-11H2.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone has a molecular weight of 275.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 79921687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).