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

C16H30N2O3 — CID 106458979

IUPAC3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)COCCN1C(=O)C(C)(C)NC(=O)C1CC(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)9-13-14(19)17-16(5,6)15(20)18(13)7-8-21-10-12(3)4/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyFDUIKYAIMUMXEA-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.81
Rot. Bonds7

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

3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 106458979) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID106458979
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)COCCN1C(=O)C(C)(C)NC(=O)C1CC(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)9-13-14(19)17-16(5,6)15(20)18(13)7-8-21-10-12(3)4/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyFDUIKYAIMUMXEA-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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'}

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Related Compounds

6-tert-butyl-3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]piperazine-2,5-dione
CID 106458983
3,3-dimethyl-6-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627641
1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 12032341
3,3-dimethyl-6-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64901967
1-(2-ethoxyethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64875371
1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64959171
3,3-diethyl-6-(2-methylpropyl)-1-propylpiperazine-2,5-dione
CID 64884826
1-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64872364
6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
CID 64875375
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
3-ethyl-3-methyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64885290

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione (CID 106458979) is 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)COCCN1C(=O)C(C)(C)NC(=O)C1CC(C)C.
What is the InChIKey of 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is FDUIKYAIMUMXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)9-13-14(19)17-16(5,6)15(20)18(13)7-8-21-10-12(3)4/h11-13H,7-10H2,1-6H3,(H,17,19).
What are the key properties of 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 106458979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).