1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one

C17H23NO3 — CID 105116552

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H23NO3/c19-16(2-1-14-3-8-18-9-4-14)15-5-10-21-17(13-15)6-11-20-12-7-17/h3-4,8-9,15H,1-2,5-7,10-13H2
InChIKeyDSLQNFDAFHQIDC-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.56
Rot. Bonds4

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

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 105116552) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID105116552
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H23NO3/c19-16(2-1-14-3-8-18-9-4-14)15-5-10-21-17(13-15)6-11-20-12-7-17/h3-4,8-9,15H,1-2,5-7,10-13H2
InChIKeyDSLQNFDAFHQIDC-UHFFFAOYSA-N
XLogP2.56
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one
CID 105118669
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone
CID 79921687
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-3-pyridin-3-ylpropan-1-one
CID 105119747
3-(3-aminophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116603291
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-piperidin-4-ylpropan-1-one
CID 116563375
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-ethoxypropan-1-one
CID 105116599
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-one
CID 105116596
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116605977
1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methanone
CID 79921773
2-(4-aminophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 116549498

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one (CID 105116552) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is DSLQNFDAFHQIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(2-1-14-3-8-18-9-4-14)15-5-10-21-17(13-15)6-11-20-12-7-17/h3-4,8-9,15H,1-2,5-7,10-13H2.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 289.37 g/mol, XLogP of 2.56, 4 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)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 105116552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).