1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone

C19H19NO4 — CID 110643907

IUPAC1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C19H19NO4/c21-19(15-6-7-17-18(11-15)24-13-23-17)20-8-9-22-16(12-20)10-14-4-2-1-3-5-14/h1-7,11,16H,8-10,12-13H2
InChIKeyKPBVGHFFFBRPED-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.50
Rot. Bonds3

About 1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone

1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone (PubChem CID 110643907) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
PubChem CID110643907
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C19H19NO4/c21-19(15-6-7-17-18(11-15)24-13-23-17)20-8-9-22-16(12-20)10-14-4-2-1-3-5-14/h1-7,11,16H,8-10,12-13H2
InChIKeyKPBVGHFFFBRPED-UHFFFAOYSA-N
XLogP2.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
1,3-benzodioxol-5-yl-(2-benzyl-6-methylmorpholin-4-yl)methanone
CID 110644171
2-[[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl]-N-benzylmorpholine-4-carboxamide
CID 46060446
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
CID 46156758
1,3-benzodioxol-5-yl-[(2S)-2-benzylpyrrolidin-1-yl]methanone
CID 32822886
1,3-benzodioxol-5-yl-(4-benzylpiperazin-1-yl)methanone
CID 803605
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
1,3-benzodioxol-5-yl-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861471
N-[[3-(1,3-benzodioxole-5-carbonyl)-1,3-oxazolidin-2-yl]methyl]-N'-benzyloxamide
CID 16801227
(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone
CID 71801610

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone (CID 110643907) is 1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone is O=C(c1ccc2c(c1)OCO2)N1CCOC(Cc2ccccc2)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone?
The InChIKey is KPBVGHFFFBRPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-19(15-6-7-17-18(11-15)24-13-23-17)20-8-9-22-16(12-20)10-14-4-2-1-3-5-14/h1-7,11,16H,8-10,12-13H2.
What are the key properties of 1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone?
1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone has a molecular weight of 325.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone is sourced from PubChem (CID 110643907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).