3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione

C13H21N3O3 — CID 106740243

IUPAC3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione
SMILESCC1CC(C(=O)N2CC(=O)NC(=O)C2(C)C)CCN1
InChIInChI=1S/C13H21N3O3/c1-8-6-9(4-5-14-8)11(18)16-7-10(17)15-12(19)13(16,2)3/h8-9,14H,4-7H2,1-3H3,(H,15,17,19)
InChIKeyVXVPHERKJPGPQQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.36
Rot. Bonds1

About 3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione

3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione (PubChem CID 106740243) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione
PubChem CID106740243
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione
SMILESCC1CC(C(=O)N2CC(=O)NC(=O)C2(C)C)CCN1
InChIInChI=1S/C13H21N3O3/c1-8-6-9(4-5-14-8)11(18)16-7-10(17)15-12(19)13(16,2)3/h8-9,14H,4-7H2,1-3H3,(H,15,17,19)
InChIKeyVXVPHERKJPGPQQ-UHFFFAOYSA-N
XLogP-0.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione (CID 106740243) is 3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione is CC1CC(C(=O)N2CC(=O)NC(=O)C2(C)C)CCN1.
What is the InChIKey of 3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione?
The InChIKey is VXVPHERKJPGPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8-6-9(4-5-14-8)11(18)16-7-10(17)15-12(19)13(16,2)3/h8-9,14H,4-7H2,1-3H3,(H,15,17,19).
What are the key properties of 3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione?
3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione has a molecular weight of 267.33 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 106740243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).