3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate

C15H15N2O4- — CID 4688270

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate
SMILESO=C([O-])c1[nH]c2ccccc2c1CC(=O)N1CCOCC1
InChIInChI=1S/C15H16N2O4/c18-13(17-5-7-21-8-6-17)9-11-10-3-1-2-4-12(10)16-14(11)15(19)20/h1-4,16H,5-9H2,(H,19,20)/p-1
InChIKeyVCGHFABJIIJSDT-UHFFFAOYSA-M
MW287.29 g/mol
LogP-0.07
Rot. Bonds3

About 3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate

3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate (PubChem CID 4688270) has the molecular formula C15H15N2O4- and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate
PubChem CID4688270
Molecular FormulaC15H15N2O4-
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate
SMILESO=C([O-])c1[nH]c2ccccc2c1CC(=O)N1CCOCC1
InChIInChI=1S/C15H16N2O4/c18-13(17-5-7-21-8-6-17)9-11-10-3-1-2-4-12(10)16-14(11)15(19)20/h1-4,16H,5-9H2,(H,19,20)/p-1
InChIKeyVCGHFABJIIJSDT-UHFFFAOYSA-M
XLogP-0.07
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone
CID 137258836
4-hydroxy-3-(2-morpholin-4-yl-2-oxoethyl)-1H-quinolin-2-one
CID 54697772
propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate
CID 171483490
3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid
CID 4648254
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 31853042
(2-amino-1H-indol-3-yl)-morpholin-4-ylmethanone
CID 135038079
2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone
CID 5047819
3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione
CID 4910902
1-[4-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452065
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate (CID 4688270) is 3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate is O=C([O-])c1[nH]c2ccccc2c1CC(=O)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate?
The InChIKey is VCGHFABJIIJSDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16N2O4/c18-13(17-5-7-21-8-6-17)9-11-10-3-1-2-4-12(10)16-14(11)15(19)20/h1-4,16H,5-9H2,(H,19,20)/p-1.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate?
3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate has a molecular weight of 287.29 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 4688270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).