ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one

C14H26N2O3 — CID 142822980

IUPACethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one
SMILESCC.CN1C(=O)CCCC1=O.CN1CCCCC1=O
InChIInChI=1S/C6H9NO2.C6H11NO.C2H6/c1-7-5(8)3-2-4-6(7)9;1-7-5-3-2-4-6(7)8;1-2/h2-4H2,1H3;2-5H2,1H3;1-2H3
InChIKeyWPGNWJOGOVVZGC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.81
Rot. Bonds

About ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one

ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one (PubChem CID 142822980) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one.

Molecular Properties

Compound Nameethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one
PubChem CID142822980
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one
SMILESCC.CN1C(=O)CCCC1=O.CN1CCCCC1=O
InChIInChI=1S/C6H9NO2.C6H11NO.C2H6/c1-7-5(8)3-2-4-6(7)9;1-7-5-3-2-4-6(7)8;1-2/h2-4H2,1H3;2-5H2,1H3;1-2H3
InChIKeyWPGNWJOGOVVZGC-UHFFFAOYSA-N
XLogP1.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
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 ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one?
The IUPAC name of ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one (CID 142822980) is ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one.
What is the SMILES notation for ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one?
The canonical SMILES for ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one is CC.CN1C(=O)CCCC1=O.CN1CCCCC1=O.
What is the InChIKey of ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one?
The InChIKey is WPGNWJOGOVVZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.C6H11NO.C2H6/c1-7-5(8)3-2-4-6(7)9;1-7-5-3-2-4-6(7)8;1-2/h2-4H2,1H3;2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one?
ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one has a molecular weight of 270.37 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one is sourced from PubChem (CID 142822980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).