1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one

C18H26N2O2 — CID 48633177

IUPAC1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(CCC(=O)N2CCc3ccccc32)CC(C)(C)O1
InChIInChI=1S/C18H26N2O2/c1-14-12-19(13-18(2,3)22-14)10-9-17(21)20-11-8-15-6-4-5-7-16(15)20/h4-7,14H,8-13H2,1-3H3
InChIKeyCLPNDQAHALWMGP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.47
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one

1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one (PubChem CID 48633177) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
PubChem CID48633177
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(CCC(=O)N2CCc3ccccc32)CC(C)(C)O1
InChIInChI=1S/C18H26N2O2/c1-14-12-19(13-18(2,3)22-14)10-9-17(21)20-11-8-15-6-4-5-7-16(15)20/h4-7,14H,8-13H2,1-3H3
InChIKeyCLPNDQAHALWMGP-UHFFFAOYSA-N
XLogP2.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 95352082
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110020014
1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid
CID 119904122
1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one
CID 95610917
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110665050
1-[4-oxo-4-[(6R)-2,2,6-trimethylmorpholin-4-yl]butyl]-3,4-dihydroquinolin-2-one
CID 95317533
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665056

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one (CID 48633177) is 1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one is CC1CN(CCC(=O)N2CCc3ccccc32)CC(C)(C)O1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
The InChIKey is CLPNDQAHALWMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-12-19(13-18(2,3)22-14)10-9-17(21)20-11-8-15-6-4-5-7-16(15)20/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 48633177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).