3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione

C14H26N2O2 — CID 64957247

IUPAC3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
SMILESCCCC(C)N1C(=O)C(C(C)(C)C)NC(=O)C1C
InChIInChI=1S/C14H26N2O2/c1-7-8-9(2)16-10(3)12(17)15-11(13(16)18)14(4,5)6/h9-11H,7-8H2,1-6H3,(H,15,17)
InChIKeyJAYXBTSHANGZPV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds3

About 3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione

3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione (PubChem CID 64957247) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
PubChem CID64957247
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
SMILESCCCC(C)N1C(=O)C(C(C)(C)C)NC(=O)C1C
InChIInChI=1S/C14H26N2O2/c1-7-8-9(2)16-10(3)12(17)15-11(13(16)18)14(4,5)6/h9-11H,7-8H2,1-6H3,(H,15,17)
InChIKeyJAYXBTSHANGZPV-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-1-heptan-2-yl-6-methylpiperazine-2,5-dione
CID 64964224
3-tert-butyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965035
3-tert-butyl-6-methyl-1-octan-4-ylpiperazine-2,5-dione
CID 106027619
3-tert-butyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957328
3-tert-butyl-6-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64900734
3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
CID 64972686
3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
CID 64969099
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969088
3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione
CID 64902838
3-tert-butyl-6-methyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963117
3-tert-butyl-1,6-dimethylpiperazine-2,5-dione
CID 64902648
8-methyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957246

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione (CID 64957247) is 3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione is CCCC(C)N1C(=O)C(C(C)(C)C)NC(=O)C1C.
What is the InChIKey of 3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione?
The InChIKey is JAYXBTSHANGZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-7-8-9(2)16-10(3)12(17)15-11(13(16)18)14(4,5)6/h9-11H,7-8H2,1-6H3,(H,15,17).
What are the key properties of 3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione?
3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64957247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).