1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one

C17H22N2O2 — CID 35017812

IUPAC1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESCC1(C)CN(C(=O)CCc2c[nH]c3ccccc23)CCO1
InChIInChI=1S/C17H22N2O2/c1-17(2)12-19(9-10-21-17)16(20)8-7-13-11-18-15-6-4-3-5-14(13)15/h3-6,11,18H,7-10,12H2,1-2H3
InChIKeyDLSQMJLVECFHOT-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.74
Rot. Bonds3

About 1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one

1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one (PubChem CID 35017812) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
PubChem CID35017812
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESCC1(C)CN(C(=O)CCc2c[nH]c3ccccc23)CCO1
InChIInChI=1S/C17H22N2O2/c1-17(2)12-19(9-10-21-17)16(20)8-7-13-11-18-15-6-4-3-5-14(13)15/h3-6,11,18H,7-10,12H2,1-2H3
InChIKeyDLSQMJLVECFHOT-UHFFFAOYSA-N
XLogP2.74
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 97122997
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 167897458
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
1-[4-(1H-indol-3-yl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256041
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
CID 110156926
4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile
CID 78945471
formic acid;1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 171688359
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 56866050
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110108314
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 19572376

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one (CID 35017812) is 1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one is CC1(C)CN(C(=O)CCc2c[nH]c3ccccc23)CCO1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is DLSQMJLVECFHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2)12-19(9-10-21-17)16(20)8-7-13-11-18-15-6-4-3-5-14(13)15/h3-6,11,18H,7-10,12H2,1-2H3.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one?
1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 286.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 35017812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).