3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione

C16H29NO2 — CID 70336667

IUPAC3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione
SMILESCCCC1(C)C(=O)N(CC(C)C)C(=O)C(C)C1(C)C
InChIInChI=1S/C16H29NO2/c1-8-9-16(7)14(19)17(10-11(2)3)13(18)12(4)15(16,5)6/h11-12H,8-10H2,1-7H3
InChIKeyLBQBXCHTIADUJU-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.48
Rot. Bonds4

About 3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione

3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione (PubChem CID 70336667) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione
PubChem CID70336667
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione
SMILESCCCC1(C)C(=O)N(CC(C)C)C(=O)C(C)C1(C)C
InChIInChI=1S/C16H29NO2/c1-8-9-16(7)14(19)17(10-11(2)3)13(18)12(4)15(16,5)6/h11-12H,8-10H2,1-7H3
InChIKeyLBQBXCHTIADUJU-UHFFFAOYSA-N
XLogP3.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione?
The IUPAC name of 3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione (CID 70336667) is 3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione.
What is the SMILES notation for 3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione?
The canonical SMILES for 3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione is CCCC1(C)C(=O)N(CC(C)C)C(=O)C(C)C1(C)C.
What is the InChIKey of 3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione?
The InChIKey is LBQBXCHTIADUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-8-9-16(7)14(19)17(10-11(2)3)13(18)12(4)15(16,5)6/h11-12H,8-10H2,1-7H3.
What are the key properties of 3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione?
3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione has a molecular weight of 267.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5-tetramethyl-1-(2-methylpropyl)-3-propylpiperidine-2,6-dione is sourced from PubChem (CID 70336667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).