1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione

C16H18N2O3 — CID 23283702

IUPAC1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
SMILESCOc1ccc2[nH]cc(CCN3C(=O)CCCC3=O)c2c1
InChIInChI=1S/C16H18N2O3/c1-21-12-5-6-14-13(9-12)11(10-17-14)7-8-18-15(19)3-2-4-16(18)20/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyAQRFVRKESUEOEY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.26
Rot. Bonds4

About 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione (PubChem CID 23283702) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
PubChem CID23283702
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
SMILESCOc1ccc2[nH]cc(CCN3C(=O)CCCC3=O)c2c1
InChIInChI=1S/C16H18N2O3/c1-21-12-5-6-14-13(9-12)11(10-17-14)7-8-18-15(19)3-2-4-16(18)20/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyAQRFVRKESUEOEY-UHFFFAOYSA-N
XLogP2.26
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione (CID 23283702) is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione is COc1ccc2[nH]cc(CCN3C(=O)CCCC3=O)c2c1.
What is the InChIKey of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione?
The InChIKey is AQRFVRKESUEOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-12-5-6-14-13(9-12)11(10-17-14)7-8-18-15(19)3-2-4-16(18)20/h5-6,9-10,17H,2-4,7-8H2,1H3.
What are the key properties of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione?
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione has a molecular weight of 286.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 23283702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).