3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione

C15H27NO2 — CID 143013206

IUPAC3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1(C)CC(C)(CC(C)(C)C)C(=O)NC1=O
InChIInChI=1S/C15H27NO2/c1-10(2)15(7)9-14(6,8-13(3,4)5)11(17)16-12(15)18/h10H,8-9H2,1-7H3,(H,16,17,18)
InChIKeyULEULRLOJXZWOW-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione

3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione (PubChem CID 143013206) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione
PubChem CID143013206
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1(C)CC(C)(CC(C)(C)C)C(=O)NC1=O
InChIInChI=1S/C15H27NO2/c1-10(2)15(7)9-14(6,8-13(3,4)5)11(17)16-12(15)18/h10H,8-9H2,1-7H3,(H,16,17,18)
InChIKeyULEULRLOJXZWOW-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
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-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione (CID 143013206) is 3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione is CC(C)C1(C)CC(C)(CC(C)(C)C)C(=O)NC1=O.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione?
The InChIKey is ULEULRLOJXZWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)15(7)9-14(6,8-13(3,4)5)11(17)16-12(15)18/h10H,8-9H2,1-7H3,(H,16,17,18).
What are the key properties of 3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione?
3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione has a molecular weight of 253.39 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3,5-dimethyl-5-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 143013206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).