6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione

C15H28N2O2 — CID 64873023

IUPAC6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CN1C(=O)C(C(C)C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-9(2)8-17-12(15(5,6)7)13(18)16-11(10(3)4)14(17)19/h9-12H,8H2,1-7H3,(H,16,18)
InChIKeyVZMRKIFVRMDQOT-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.04
Rot. Bonds3

About 6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione

6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64873023) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64873023
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CN1C(=O)C(C(C)C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-9(2)8-17-12(15(5,6)7)13(18)16-11(10(3)4)14(17)19/h9-12H,8H2,1-7H3,(H,16,18)
InChIKeyVZMRKIFVRMDQOT-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874379
1-butan-2-yl-6-tert-butyl-3-propan-2-ylpiperazine-2,5-dione
CID 79452301
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64884996
6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
CID 82934453
1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 82934843
1-(2-methylbutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64958231
6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione
CID 82926672
6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
CID 64873376
1-(2-tert-butylsulfonylethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 106733445
6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione
CID 64872821
3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83242661

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64873023) is 6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)CN1C(=O)C(C(C)C)NC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is VZMRKIFVRMDQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-9(2)8-17-12(15(5,6)7)13(18)16-11(10(3)4)14(17)19/h9-12H,8H2,1-7H3,(H,16,18).
What are the key properties of 6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione?
6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64873023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).