(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone

C22H24N2O2 — CID 8892178

IUPAC(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone
SMILESC[C@H]1CN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C22H24N2O2/c1-15-13-24(14-16(2)26-15)21(17-8-4-3-5-9-17)22(25)19-12-23-20-11-7-6-10-18(19)20/h3-12,15-16,21,23H,13-14H2,1-2H3/t15-,16-,21-/m0/s1
InChIKeyMDZVDOLYUVELRM-QYWGDWMGSA-N
MW348.45 g/mol
LogP4.20
Rot. Bonds4

About (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone

(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone (PubChem CID 8892178) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone
PubChem CID8892178
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone
SMILESC[C@H]1CN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C22H24N2O2/c1-15-13-24(14-16(2)26-15)21(17-8-4-3-5-9-17)22(25)19-12-23-20-11-7-6-10-18(19)20/h3-12,15-16,21,23H,13-14H2,1-2H3/t15-,16-,21-/m0/s1
InChIKeyMDZVDOLYUVELRM-QYWGDWMGSA-N
XLogP4.20
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-3-yl]propanoic acid
CID 122100942
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide
CID 55850392
2-[4-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperazin-1-yl]-N-propylacetamide
CID 8774224
N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 40855341
(2R)-1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 99978373
trans-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019706
(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 34134673
[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] N,N-dimethylcarbamodithioate
CID 7554680
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(1H-indol-3-yl)-2-phenylethanone
CID 9356718
7-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione
CID 60535854
[(1S)-1-(furan-2-yl)ethyl]-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]azanium
CID 9441387

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone (CID 8892178) is (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone is C[C@H]1CN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C[C@H](C)O1.
What is the InChIKey of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone?
The InChIKey is MDZVDOLYUVELRM-QYWGDWMGSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-13-24(14-16(2)26-15)21(17-8-4-3-5-9-17)22(25)19-12-23-20-11-7-6-10-18(19)20/h3-12,15-16,21,23H,13-14H2,1-2H3/t15-,16-,21-/m0/s1.
What are the key properties of (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone?
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone has a molecular weight of 348.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 8892178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).