3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione

C14H18N2O2 — CID 170361648

IUPAC3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione
SMILESCc1cccc(N(C)C2CCC(=O)N(C)C2=O)c1
InChIInChI=1S/C14H18N2O2/c1-10-5-4-6-11(9-10)15(2)12-7-8-13(17)16(3)14(12)18/h4-6,9,12H,7-8H2,1-3H3
InChIKeyHLAONHZJDSUEQE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.58
Rot. Bonds2

About 3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione

3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione (PubChem CID 170361648) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione
PubChem CID170361648
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione
SMILESCc1cccc(N(C)C2CCC(=O)N(C)C2=O)c1
InChIInChI=1S/C14H18N2O2/c1-10-5-4-6-11(9-10)15(2)12-7-8-13(17)16(3)14(12)18/h4-6,9,12H,7-8H2,1-3H3
InChIKeyHLAONHZJDSUEQE-UHFFFAOYSA-N
XLogP1.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.58
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 3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione (CID 170361648) is 3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione is Cc1cccc(N(C)C2CCC(=O)N(C)C2=O)c1.
What is the InChIKey of 3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione?
The InChIKey is HLAONHZJDSUEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-5-4-6-11(9-10)15(2)12-7-8-13(17)16(3)14(12)18/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of 3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione?
3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione has a molecular weight of 246.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,3-dimethylanilino)-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 170361648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).