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

C16H20N2O2 — CID 110744420

IUPAC1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
SMILESCC1OCCN(C(=O)Cc2c[nH]c3ccccc23)C1C
InChIInChI=1S/C16H20N2O2/c1-11-12(2)20-8-7-18(11)16(19)9-13-10-17-15-6-4-3-5-14(13)15/h3-6,10-12,17H,7-9H2,1-2H3
InChIKeyZUDUAJOCCLFTBK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.35
Rot. Bonds2

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

1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone (PubChem CID 110744420) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
PubChem CID110744420
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
SMILESCC1OCCN(C(=O)Cc2c[nH]c3ccccc23)C1C
InChIInChI=1S/C16H20N2O2/c1-11-12(2)20-8-7-18(11)16(19)9-13-10-17-15-6-4-3-5-14(13)15/h3-6,10-12,17H,7-9H2,1-2H3
InChIKeyZUDUAJOCCLFTBK-UHFFFAOYSA-N
XLogP2.35
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
1-(4-amino-2-methylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 115312222
1-[3-(4-fluorophenyl)morpholin-4-yl]-2-(1H-indol-3-yl)ethanone
CID 110663792
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[3-(furan-2-yl)morpholin-4-yl]-2-(1H-indol-3-yl)ethanone
CID 139001947
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
CID 110644020
(8aR,11aS)-1-[2-(1H-indol-3-yl)acetyl]-2,3,5,6,7,8a,9,10,11,11a-decahydrocyclopenta[e][1,4,8]oxadiazecin-8-one
CID 110202363
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
2-(1H-indol-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 115316334
3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
CID 63600642

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone (CID 110744420) is 1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone is CC1OCCN(C(=O)Cc2c[nH]c3ccccc23)C1C.
What is the InChIKey of 1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone?
The InChIKey is ZUDUAJOCCLFTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-12(2)20-8-7-18(11)16(19)9-13-10-17-15-6-4-3-5-14(13)15/h3-6,10-12,17H,7-9H2,1-2H3.
What are the key properties of 1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone?
1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110744420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).