4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide

C15H17N3O3 — CID 83089877

IUPAC4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3O3/c16-15(20)13-9-21-6-5-18(13)8-14(19)11-7-17-12-4-2-1-3-10(11)12/h1-4,7,13,17H,5-6,8-9H2,(H2,16,20)
InChIKeyROUOXKNHABAQBO-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.54
Rot. Bonds4

About 4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide

4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide (PubChem CID 83089877) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide
PubChem CID83089877
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3O3/c16-15(20)13-9-21-6-5-18(13)8-14(19)11-7-17-12-4-2-1-3-10(11)12/h1-4,7,13,17H,5-6,8-9H2,(H2,16,20)
InChIKeyROUOXKNHABAQBO-UHFFFAOYSA-N
XLogP0.54
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide (CID 83089877) is 4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide is NC(=O)C1COCCN1CC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide?
The InChIKey is ROUOXKNHABAQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-15(20)13-9-21-6-5-18(13)8-14(19)11-7-17-12-4-2-1-3-10(11)12/h1-4,7,13,17H,5-6,8-9H2,(H2,16,20).
What are the key properties of 4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide?
4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)-2-oxoethyl]morpholine-3-carboxamide is sourced from PubChem (CID 83089877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).