2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone

C17H22N2O3 — CID 929424

IUPAC2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CN3C[C@@H](C)O[C@H](C)C3)c2c1
InChIInChI=1S/C17H22N2O3/c1-11-8-19(9-12(2)22-11)10-17(20)15-7-18-16-5-4-13(21-3)6-14(15)16/h4-7,11-12,18H,8-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyKNTPJNACMVVTAG-VXGBXAGGSA-N
MW302.37 g/mol
LogP2.47
Rot. Bonds4

About 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone (PubChem CID 929424) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
PubChem CID929424
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CN3C[C@@H](C)O[C@H](C)C3)c2c1
InChIInChI=1S/C17H22N2O3/c1-11-8-19(9-12(2)22-11)10-17(20)15-7-18-16-5-4-13(21-3)6-14(15)16/h4-7,11-12,18H,8-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyKNTPJNACMVVTAG-VXGBXAGGSA-N
XLogP2.47
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone with MolForge

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Related Compounds

1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 663738
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 951271
(1R,9S)-11-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 6353423
2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 3772999
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methoxyphenyl)ethanone
CID 93026009
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 7735516
1-(5-methoxy-1H-indol-3-yl)nonan-1-one
CID 65448551
4-chloro-1-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 21469454
2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 103555921
2-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82053854
1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
CID 3641786
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone (CID 929424) is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone is COc1ccc2[nH]cc(C(=O)CN3C[C@@H](C)O[C@H](C)C3)c2c1.
What is the InChIKey of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is KNTPJNACMVVTAG-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-8-19(9-12(2)22-11)10-17(20)15-7-18-16-5-4-13(21-3)6-14(15)16/h4-7,11-12,18H,8-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone?
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 302.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 929424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).