1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one

C18H24N2O3 — CID 97250598

IUPAC1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one
SMILESC[C@@H]1CO[C@@H](CO)CN1C(=O)CCc1cn(C)c2ccccc12
InChIInChI=1S/C18H24N2O3/c1-13-12-23-15(11-21)10-20(13)18(22)8-7-14-9-19(2)17-6-4-3-5-16(14)17/h3-6,9,13,15,21H,7-8,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyAXGOOMLRTARPKW-UKRRQHHQSA-N
MW316.40 g/mol
LogP1.72
Rot. Bonds4

About 1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one

1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one (PubChem CID 97250598) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one
PubChem CID97250598
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one
SMILESC[C@@H]1CO[C@@H](CO)CN1C(=O)CCc1cn(C)c2ccccc12
InChIInChI=1S/C18H24N2O3/c1-13-12-23-15(11-21)10-20(13)18(22)8-7-14-9-19(2)17-6-4-3-5-16(14)17/h3-6,9,13,15,21H,7-8,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyAXGOOMLRTARPKW-UKRRQHHQSA-N
XLogP1.72
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 81194547
3-(3,4-difluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81196608
1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 141396393
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 81219880
2-(2,3-dichlorophenyl)-1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 124741604
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 81208152
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-(1-methylindol-3-yl)propanoate
CID 166669160
4-(1-methylindol-3-yl)butanamide
CID 175206986
3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81209141
[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-isoquinolin-4-ylmethanone
CID 97250578
methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate
CID 71701683
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one?
The IUPAC name of 1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one (CID 97250598) is 1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one.
What is the SMILES notation for 1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one?
The canonical SMILES for 1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one is C[C@@H]1CO[C@@H](CO)CN1C(=O)CCc1cn(C)c2ccccc12.
What is the InChIKey of 1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one?
The InChIKey is AXGOOMLRTARPKW-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-12-23-15(11-21)10-20(13)18(22)8-7-14-9-19(2)17-6-4-3-5-16(14)17/h3-6,9,13,15,21H,7-8,10-12H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of 1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one?
1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one has a molecular weight of 316.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one is sourced from PubChem (CID 97250598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).