6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione

C16H30N2O3 — CID 106458983

IUPAC6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione
SMILESCC(C)COCCN1C(=O)C(C)(C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)10-21-9-8-18-12(15(3,4)5)13(19)17-16(6,7)14(18)20/h11-12H,8-10H2,1-7H3,(H,17,19)
InChIKeyISKUNQHWTMJZQI-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.81
Rot. Bonds5

About 6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione

6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione (PubChem CID 106458983) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione
PubChem CID106458983
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione
SMILESCC(C)COCCN1C(=O)C(C)(C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)10-21-9-8-18-12(15(3,4)5)13(19)17-16(6,7)14(18)20/h11-12H,8-10H2,1-7H3,(H,17,19)
InChIKeyISKUNQHWTMJZQI-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 106458979
6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650381
6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64901030
6-tert-butyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64902557
6-tert-butyl-3,3-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902088
1-(2-ethoxyethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64875371
6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64901219
6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
CID 107056481
6-tert-butyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione
CID 64880859
3,3,7-trimethyl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane-2,5-dione
CID 64884577
3-cyclopropyl-3,6,6-trimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione
CID 106459076
6-cyclopropyl-3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 115943725

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione (CID 106458983) is 6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione is CC(C)COCCN1C(=O)C(C)(C)NC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione?
The InChIKey is ISKUNQHWTMJZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)10-21-9-8-18-12(15(3,4)5)13(19)17-16(6,7)14(18)20/h11-12H,8-10H2,1-7H3,(H,17,19).
What are the key properties of 6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione?
6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 106458983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).