6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione

C14H23N5O2 — CID 107056448

IUPAC6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C(C)C)C(=O)N1Cc1cn(C)nn1
InChIInChI=1S/C14H23N5O2/c1-6-14(4)13(21)15-11(9(2)3)12(20)19(14)8-10-7-18(5)17-16-10/h7,9,11H,6,8H2,1-5H3,(H,15,21)
InChIKeyKMZSVLSALRCUMN-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.47
Rot. Bonds4

About 6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione

6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 107056448) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID107056448
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C(C)C)C(=O)N1Cc1cn(C)nn1
InChIInChI=1S/C14H23N5O2/c1-6-14(4)13(21)15-11(9(2)3)12(20)19(14)8-10-7-18(5)17-16-10/h7,9,11H,6,8H2,1-5H3,(H,15,21)
InChIKeyKMZSVLSALRCUMN-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-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874004
6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64874006
6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873826
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 107055837
6-ethyl-3,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64874502
6-butan-2-yl-3,3-dimethyl-1-[(1-methyltriazol-4-yl)methyl]piperazine-2,5-dione
CID 107056471
1-[(2,3-difluorophenyl)methyl]-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64873317
6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
CID 107056418
1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873607
6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874208
6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 107056389
6-ethyl-1-[(2-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874307

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione (CID 107056448) is 6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione is CCC1(C)C(=O)NC(C(C)C)C(=O)N1Cc1cn(C)nn1.
What is the InChIKey of 6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is KMZSVLSALRCUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-6-14(4)13(21)15-11(9(2)3)12(20)19(14)8-10-7-18(5)17-16-10/h7,9,11H,6,8H2,1-5H3,(H,15,21).
What are the key properties of 6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-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-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107056448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).