3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione

C17H22N2O2 — CID 15153355

IUPAC3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione
SMILESCN1CCC(CCC2C(=O)Nc3ccccc3C2=O)CC1
InChIInChI=1S/C17H22N2O2/c1-19-10-8-12(9-11-19)6-7-14-16(20)13-4-2-3-5-15(13)18-17(14)21/h2-5,12,14H,6-11H2,1H3,(H,18,21)
InChIKeyXGOMQTZAPRJNJX-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.56
Rot. Bonds3

About 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione

3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione (PubChem CID 15153355) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione
PubChem CID15153355
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione
SMILESCN1CCC(CCC2C(=O)Nc3ccccc3C2=O)CC1
InChIInChI=1S/C17H22N2O2/c1-19-10-8-12(9-11-19)6-7-14-16(20)13-4-2-3-5-15(13)18-17(14)21/h2-5,12,14H,6-11H2,1H3,(H,18,21)
InChIKeyXGOMQTZAPRJNJX-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione?
The IUPAC name of 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione (CID 15153355) is 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione.
What is the SMILES notation for 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione?
The canonical SMILES for 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione is CN1CCC(CCC2C(=O)Nc3ccccc3C2=O)CC1.
What is the InChIKey of 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione?
The InChIKey is XGOMQTZAPRJNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19-10-8-12(9-11-19)6-7-14-16(20)13-4-2-3-5-15(13)18-17(14)21/h2-5,12,14H,6-11H2,1H3,(H,18,21).
What are the key properties of 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione?
3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione has a molecular weight of 286.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-quinoline-2,4-dione is sourced from PubChem (CID 15153355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).