1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone

C22H24N2O2 — CID 110644020

IUPAC1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
SMILESCC1COC(Cc2ccccc2)CN1C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H24N2O2/c1-16-15-26-19(11-17-7-3-2-4-8-17)14-24(16)22(25)12-18-13-23-21-10-6-5-9-20(18)21/h2-10,13,16,19,23H,11-12,14-15H2,1H3
InChIKeyCWRVSGKDSBJNQU-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.57
Rot. Bonds4

About 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone

1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone (PubChem CID 110644020) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
PubChem CID110644020
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
SMILESCC1COC(Cc2ccccc2)CN1C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H24N2O2/c1-16-15-26-19(11-17-7-3-2-4-8-17)14-24(16)22(25)12-18-13-23-21-10-6-5-9-20(18)21/h2-10,13,16,19,23H,11-12,14-15H2,1H3
InChIKeyCWRVSGKDSBJNQU-UHFFFAOYSA-N
XLogP3.57
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 43420925
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone
CID 110644004
1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
CID 110744420
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-indol-3-yl)ethanone
CID 71099604
2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81207945
1-(4-amino-2-methylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 115312222
1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 97072789
(2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone
CID 110644011
2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
CID 3152595
(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
CID 124948614

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone (CID 110644020) is 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone is CC1COC(Cc2ccccc2)CN1C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone?
The InChIKey is CWRVSGKDSBJNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-15-26-19(11-17-7-3-2-4-8-17)14-24(16)22(25)12-18-13-23-21-10-6-5-9-20(18)21/h2-10,13,16,19,23H,11-12,14-15H2,1H3.
What are the key properties of 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone?
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone has a molecular weight of 348.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110644020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).