1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one

C13H17NO2 — CID 62622675

IUPAC1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)CC1CCOCC1
InChIInChI=1S/C13H17NO2/c15-13(9-11-1-5-14-6-2-11)10-12-3-7-16-8-4-12/h1-2,5-6,12H,3-4,7-10H2
InChIKeyDBXAPKWVKFTVBT-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.01
Rot. Bonds4

About 1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one

1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one (PubChem CID 62622675) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one
PubChem CID62622675
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)CC1CCOCC1
InChIInChI=1S/C13H17NO2/c15-13(9-11-1-5-14-6-2-11)10-12-3-7-16-8-4-12/h1-2,5-6,12H,3-4,7-10H2
InChIKeyDBXAPKWVKFTVBT-UHFFFAOYSA-N
XLogP2.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-yl)-3-pyridin-4-ylpropan-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

1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one
CID 62622306
1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one
CID 62622674
1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
CID 55096319
1-morpholin-3-yl-3-pyridin-4-ylpropan-2-one
CID 116595856
1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one
CID 103164289
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
1-(4-aminophenyl)-3-cyclopentylpropan-2-one
CID 116549551
4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one
CID 116608929
2-[4-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 167929677
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
N-(4-hydroxycyclohexyl)-2-pyridin-4-ylacetamide
CID 43508886

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one?
The IUPAC name of 1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one (CID 62622675) is 1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one.
What is the SMILES notation for 1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one?
The canonical SMILES for 1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one is O=C(Cc1ccncc1)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one?
The InChIKey is DBXAPKWVKFTVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(9-11-1-5-14-6-2-11)10-12-3-7-16-8-4-12/h1-2,5-6,12H,3-4,7-10H2.
What are the key properties of 1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one?
1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 62622675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).