[3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate

C15H18N2O3 — CID 68770660

IUPAC[3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate
SMILESCC(=O)Oc1ccc2c(CN3CCOCC3)c[nH]c2c1
InChIInChI=1S/C15H18N2O3/c1-11(18)20-13-2-3-14-12(9-16-15(14)8-13)10-17-4-6-19-7-5-17/h2-3,8-9,16H,4-7,10H2,1H3
InChIKeySCICWDMGCZUNGB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.93
Rot. Bonds3

About [3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate

[3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate (PubChem CID 68770660) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate
PubChem CID68770660
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate
SMILESCC(=O)Oc1ccc2c(CN3CCOCC3)c[nH]c2c1
InChIInChI=1S/C15H18N2O3/c1-11(18)20-13-2-3-14-12(9-16-15(14)8-13)10-17-4-6-19-7-5-17/h2-3,8-9,16H,4-7,10H2,1H3
InChIKeySCICWDMGCZUNGB-UHFFFAOYSA-N
XLogP1.93
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-[(6-ethyl-1H-indol-3-yl)methyl]morpholine
CID 165394294
ethane;4-[(6-ethyl-1H-indol-3-yl)methyl]morpholine
CID 165394293
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
[1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 59577684
3-(piperidin-1-ylmethyl)-1H-indol-6-ol
CID 84693698
2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 44595123
2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone
CID 110849334
(3-chloro-1H-indol-5-yl) acetate
CID 174442875
2-(5-methoxy-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 113209588
2-[(3R,4S)-3-ethyl-1-(1H-indol-3-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 40534541
[4-[1H-indol-3-yl(morpholin-4-yl)methyl]phenyl] acetate
CID 110453317
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163

Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate?
The IUPAC name of [3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate (CID 68770660) is [3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate?
The canonical SMILES for [3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate is CC(=O)Oc1ccc2c(CN3CCOCC3)c[nH]c2c1.
What is the InChIKey of [3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate?
The InChIKey is SCICWDMGCZUNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(18)20-13-2-3-14-12(9-16-15(14)8-13)10-17-4-6-19-7-5-17/h2-3,8-9,16H,4-7,10H2,1H3.
What are the key properties of [3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate?
[3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate has a molecular weight of 274.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate is sourced from PubChem (CID 68770660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).