2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one

C17H22N2O3 — CID 113210139

IUPAC2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc2[nH]cc(C(C)(C)C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C17H22N2O3/c1-17(2,16(20)19-6-8-22-9-7-19)14-11-18-15-5-4-12(21-3)10-13(14)15/h4-5,10-11,18H,6-9H2,1-3H3
InChIKeyLDZVMTKFCWRPNY-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.31
Rot. Bonds3

About 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one

2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one (PubChem CID 113210139) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one
PubChem CID113210139
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc2[nH]cc(C(C)(C)C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C17H22N2O3/c1-17(2,16(20)19-6-8-22-9-7-19)14-11-18-15-5-4-12(21-3)10-13(14)15/h4-5,10-11,18H,6-9H2,1-3H3
InChIKeyLDZVMTKFCWRPNY-UHFFFAOYSA-N
XLogP2.31
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one
CID 113210202
2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113210272
N-cyclopentyl-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210132
2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113209925
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210161
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210255
(2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetic acid
CID 29140768
5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
CID 106985577
2-(5-methoxy-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 113209588
N-(2,4-dimethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210213
N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210143
6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 91639821

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one (CID 113210139) is 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one is COc1ccc2[nH]cc(C(C)(C)C(=O)N3CCOCC3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is LDZVMTKFCWRPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2,16(20)19-6-8-22-9-7-19)14-11-18-15-5-4-12(21-3)10-13(14)15/h4-5,10-11,18H,6-9H2,1-3H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one?
2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 302.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 113210139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).