1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one

C17H22N2O2 — CID 43420925

IUPAC1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2c[nH]c3ccccc23)C(C)CO1
InChIInChI=1S/C17H22N2O2/c1-12-11-21-13(2)10-19(12)17(20)8-7-14-9-18-16-6-4-3-5-15(14)16/h3-6,9,12-13,18H,7-8,10-11H2,1-2H3
InChIKeySRMFJOOVYDVSHE-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.74
Rot. Bonds3

About 1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one

1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one (PubChem CID 43420925) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
PubChem CID43420925
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2c[nH]c3ccccc23)C(C)CO1
InChIInChI=1S/C17H22N2O2/c1-12-11-21-13(2)10-19(12)17(20)8-7-14-9-18-16-6-4-3-5-15(14)16/h3-6,9,12-13,18H,7-8,10-11H2,1-2H3
InChIKeySRMFJOOVYDVSHE-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

1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
CID 110644020
1-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97093757
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 79989530
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 95584393
2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 55213909
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one
CID 46846426
1-[(3aS,9aR)-1-acetyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110136219

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one (CID 43420925) is 1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one is CC1CN(C(=O)CCc2c[nH]c3ccccc23)C(C)CO1.
What is the InChIKey of 1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is SRMFJOOVYDVSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-11-21-13(2)10-19(12)17(20)8-7-14-9-18-16-6-4-3-5-15(14)16/h3-6,9,12-13,18H,7-8,10-11H2,1-2H3.
What are the key properties of 1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one?
1-(2,5-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-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 43420925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).