(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C22H24N2O2 — CID 30662185

IUPAC(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C[C@H](C)O1
InChIInChI=1S/C22H24N2O2/c1-16-12-24(13-17(2)26-16)22(25)20-15-23(14-18-8-4-3-5-9-18)21-11-7-6-10-19(20)21/h3-11,15-17H,12-14H2,1-2H3/t16-,17+
InChIKeyQGWDRHLEYRIYQI-CALCHBBNSA-N
MW348.45 g/mol
LogP3.94
Rot. Bonds3

About (1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 30662185) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID30662185
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C[C@H](C)O1
InChIInChI=1S/C22H24N2O2/c1-16-12-24(13-17(2)26-16)22(25)20-15-23(14-18-8-4-3-5-9-18)21-11-7-6-10-19(20)21/h3-11,15-17H,12-14H2,1-2H3/t16-,17+
InChIKeyQGWDRHLEYRIYQI-CALCHBBNSA-N
XLogP3.94
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 96997373
(3R,4R)-1-(1-benzylindole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979581
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
CID 119177873
(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 18711813
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone
CID 166240989
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55678779
(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 42791174
4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide
CID 86969115
(1-benzyl-3-phenylmethoxypyrazol-4-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 40925650

Frequently Asked Questions

What is the IUPAC name of (1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 30662185) is (1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)C[C@H](C)O1.
What is the InChIKey of (1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is QGWDRHLEYRIYQI-CALCHBBNSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-12-24(13-17(2)26-16)22(25)20-15-23(14-18-8-4-3-5-9-18)21-11-7-6-10-19(20)21/h3-11,15-17H,12-14H2,1-2H3/t16-,17+.
What are the key properties of (1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 30662185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).