3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one

C14H19NO3 — CID 110739650

IUPAC3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCCOC2)c1
InChIInChI=1S/C14H19NO3/c1-17-13-5-2-4-12(10-13)6-7-14(16)15-8-3-9-18-11-15/h2,4-5,10H,3,6-9,11H2,1H3
InChIKeyHIJGCETUUVZADZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.83
Rot. Bonds4

About 3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one

3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one (PubChem CID 110739650) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
PubChem CID110739650
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCCOC2)c1
InChIInChI=1S/C14H19NO3/c1-17-13-5-2-4-12(10-13)6-7-14(16)15-8-3-9-18-11-15/h2,4-5,10H,3,6-9,11H2,1H3
InChIKeyHIJGCETUUVZADZ-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one
CID 112536109
1-(6-hydroxy-1,4-oxazepan-4-yl)-3-(3-methoxyphenyl)propan-1-one
CID 70713084
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 124628214
5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110799357
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 66262478
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013797

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one (CID 110739650) is 3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one is COc1cccc(CCC(=O)N2CCCOC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one?
The InChIKey is HIJGCETUUVZADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-5-2-4-12(10-13)6-7-14(16)15-8-3-9-18-11-15/h2,4-5,10H,3,6-9,11H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one?
3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one has a molecular weight of 249.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one is sourced from PubChem (CID 110739650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).