6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione

C14H23N5O2 — CID 107056481

IUPAC6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
SMILESCn1cc(CN2C(=O)C(C)(C)NC(=O)C2C(C)(C)C)nn1
InChIInChI=1S/C14H23N5O2/c1-13(2,3)10-11(20)15-14(4,5)12(21)19(10)8-9-7-18(6)17-16-9/h7,10H,8H2,1-6H3,(H,15,20)
InChIKeyXLXJVDZGSVULGL-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.47
Rot. Bonds2

About 6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione

6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione (PubChem CID 107056481) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
PubChem CID107056481
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
SMILESCn1cc(CN2C(=O)C(C)(C)NC(=O)C2C(C)(C)C)nn1
InChIInChI=1S/C14H23N5O2/c1-13(2,3)10-11(20)15-14(4,5)12(21)19(10)8-9-7-18(6)17-16-9/h7,10H,8H2,1-6H3,(H,15,20)
InChIKeyXLXJVDZGSVULGL-UHFFFAOYSA-N
XLogP0.47
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
CID 107056471
6-tert-butyl-3,3-dimethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64901219
6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650381
6-tert-butyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64902557
6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 107056389
3,3-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-6-propylpiperazine-2,5-dione
CID 64873419
9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887804
1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 107043962
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
3,3,6-trimethyl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64872640

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione (CID 107056481) is 6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione is Cn1cc(CN2C(=O)C(C)(C)NC(=O)C2C(C)(C)C)nn1.
What is the InChIKey of 6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione?
The InChIKey is XLXJVDZGSVULGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-13(2,3)10-11(20)15-14(4,5)12(21)19(10)8-9-7-18(6)17-16-9/h7,10H,8H2,1-6H3,(H,15,20).
What are the key properties of 6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione?
6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione has a molecular weight of 293.37 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 107056481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).