3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one

C14H17NO4 — CID 110849296

IUPAC3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1cccc2c1OCO2)N1CCOCC1
InChIInChI=1S/C14H17NO4/c16-13(15-6-8-17-9-7-15)5-4-11-2-1-3-12-14(11)19-10-18-12/h1-3H,4-10H2
InChIKeyRICWJOLENYGGPL-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.21
Rot. Bonds3

About 3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one

3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 110849296) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID110849296
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1cccc2c1OCO2)N1CCOCC1
InChIInChI=1S/C14H17NO4/c16-13(15-6-8-17-9-7-15)5-4-11-2-1-3-12-14(11)19-10-18-12/h1-3H,4-10H2
InChIKeyRICWJOLENYGGPL-UHFFFAOYSA-N
XLogP1.21
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-3-(1,3-benzodioxol-4-yl)propan-1-one
CID 110856289
3-(1,3-benzodioxol-4-yl)-1-piperazin-1-ylpropan-1-one
CID 110833385
2-(1,3-benzodioxol-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110853146
2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 51120604
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
2-(1,3-benzodioxol-4-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110849867
3-(1,3-benzodioxol-4-yl)-1-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 128988179
1-(azepan-1-yl)-2-(1,3-benzodioxol-4-ylmethylamino)ethanone
CID 61211152
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
1-[4-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]piperazin-1-yl]hexan-1-one
CID 90769640
4-(2-bromophenyl)-1-morpholin-4-ylbutan-1-one
CID 166222857
4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide
CID 115294563

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one (CID 110849296) is 3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one is O=C(CCc1cccc2c1OCO2)N1CCOCC1.
What is the InChIKey of 3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is RICWJOLENYGGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(15-6-8-17-9-7-15)5-4-11-2-1-3-12-14(11)19-10-18-12/h1-3H,4-10H2.
What are the key properties of 3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one?
3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 263.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-4-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 110849296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).