3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one

C22H24N2O2 — CID 52900417

IUPAC3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
SMILESCc1cccc2c1ccn2CCC(=O)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H24N2O2/c1-17-6-5-9-20-19(17)10-12-23(20)13-11-22(25)24-14-15-26-21(16-24)18-7-3-2-4-8-18/h2-10,12,21H,11,13-16H2,1H3/t21-/m1/s1
InChIKeyWIFYFONXSBAFNC-OAQYLSRUSA-N
MW348.45 g/mol
LogP3.94
Rot. Bonds4

About 3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one

3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one (PubChem CID 52900417) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
PubChem CID52900417
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
SMILESCc1cccc2c1ccn2CCC(=O)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H24N2O2/c1-17-6-5-9-20-19(17)10-12-23(20)13-11-22(25)24-14-15-26-21(16-24)18-7-3-2-4-8-18/h2-10,12,21H,11,13-16H2,1H3/t21-/m1/s1
InChIKeyWIFYFONXSBAFNC-OAQYLSRUSA-N
XLogP3.94
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

2-indol-1-yl-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 39315127
2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone
CID 71827785
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 134040069
(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
CID 124703983
10-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acridin-9-one
CID 25348640
3-(4-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691890
2-amino-5-oxo-5-(2-phenylmorpholin-4-yl)pentanoic acid
CID 166748872
2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
CID 16894712
3-(3,5-dimethylpyrazolidin-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 134067569
6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one
CID 51720774
6,7-dimethoxy-3-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]quinazolin-4-one
CID 45494783

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one (CID 52900417) is 3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one is Cc1cccc2c1ccn2CCC(=O)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of 3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one?
The InChIKey is WIFYFONXSBAFNC-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-6-5-9-20-19(17)10-12-23(20)13-11-22(25)24-14-15-26-21(16-24)18-7-3-2-4-8-18/h2-10,12,21H,11,13-16H2,1H3/t21-/m1/s1.
What are the key properties of 3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one?
3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one has a molecular weight of 348.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 52900417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).