1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone

C19H19NO5 — CID 110327211

IUPAC1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)cc1
InChIInChI=1S/C19H19NO5/c1-22-15-5-2-13(3-6-15)18-11-20(8-9-23-18)19(21)14-4-7-16-17(10-14)25-12-24-16/h2-7,10,18H,8-9,11-12H2,1H3
InChIKeyUFVABIHDENMHFG-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.64
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone

1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone (PubChem CID 110327211) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
PubChem CID110327211
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)cc1
InChIInChI=1S/C19H19NO5/c1-22-15-5-2-13(3-6-15)18-11-20(8-9-23-18)19(21)14-4-7-16-17(10-14)25-12-24-16/h2-7,10,18H,8-9,11-12H2,1H3
InChIKeyUFVABIHDENMHFG-UHFFFAOYSA-N
XLogP2.64
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone
CID 47913286
(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
CID 110369613
[(3S,4R)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
CID 133111430
(4-hydroxy-3-methoxyphenyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95550019
1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125018775
1-[2-(4-methoxyphenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 110327157
4-[(2S)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137044866
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
1,3-benzodioxol-5-yl-[2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 110113060
(2-amino-4-pyridinyl)-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 95555521
1,3-benzodioxol-5-yl-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129339118

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone (CID 110327211) is 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone is COc1ccc(C2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)cc1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone?
The InChIKey is UFVABIHDENMHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-15-5-2-13(3-6-15)18-11-20(8-9-23-18)19(21)14-4-7-16-17(10-14)25-12-24-16/h2-7,10,18H,8-9,11-12H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone?
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone has a molecular weight of 341.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 110327211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).