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

C14H23N5O2 — CID 107056471

IUPAC6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)(C)C(=O)N1Cc1cn(C)nn1
InChIInChI=1S/C14H23N5O2/c1-6-9(2)11-12(20)15-14(3,4)13(21)19(11)8-10-7-18(5)17-16-10/h7,9,11H,6,8H2,1-5H3,(H,15,20)
InChIKeyIQWGEQCTWZNSLS-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.47
Rot. Bonds4

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

6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione (PubChem CID 107056471) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
PubChem CID107056471
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)(C)C(=O)N1Cc1cn(C)nn1
InChIInChI=1S/C14H23N5O2/c1-6-9(2)11-12(20)15-14(3,4)13(21)19(11)8-10-7-18(5)17-16-10/h7,9,11H,6,8H2,1-5H3,(H,15,20)
InChIKeyIQWGEQCTWZNSLS-UHFFFAOYSA-N
XLogP0.47
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze 6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
CID 107056481
6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979661
3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 107056469
6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64901588
6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64885668
8-butan-2-yl-9-[(1-methyltriazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055888
6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107056448
6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 107056389
6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966445
6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
CID 64886435
6-butan-2-yl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82870671
3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64900825

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione (CID 107056471) is 6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione is CCC(C)C1C(=O)NC(C)(C)C(=O)N1Cc1cn(C)nn1.
What is the InChIKey of 6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione?
The InChIKey is IQWGEQCTWZNSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-6-9(2)11-12(20)15-14(3,4)13(21)19(11)8-10-7-18(5)17-16-10/h7,9,11H,6,8H2,1-5H3,(H,15,20).
What are the key properties of 6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione?
6-butan-2-yl-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, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 107056471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).