6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione

C13H20N4O2 — CID 64971031

IUPAC6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(Cc2nccn2C)C1=O
InChIInChI=1S/C13H20N4O2/c1-4-5-10-13(19)17(9(2)12(18)15-10)8-11-14-6-7-16(11)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,18)
InChIKeyPZEOXWQNFOYSCJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.44
Rot. Bonds4

About 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione

6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 64971031) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID64971031
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(Cc2nccn2C)C1=O
InChIInChI=1S/C13H20N4O2/c1-4-5-10-13(19)17(9(2)12(18)15-10)8-11-14-6-7-16(11)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,18)
InChIKeyPZEOXWQNFOYSCJ-UHFFFAOYSA-N
XLogP0.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
CID 82870546
3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione
CID 114532473
6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 114185263
1-(2-fluoroethyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 80698044
1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64873550
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
6-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114532445
6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
CID 114532475
1-[(5-bromo-2-fluorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64873353
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440
6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64872765

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione (CID 64971031) is 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(Cc2nccn2C)C1=O.
What is the InChIKey of 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is PZEOXWQNFOYSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-5-10-13(19)17(9(2)12(18)15-10)8-11-14-6-7-16(11)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,18).
What are the key properties of 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione?
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 264.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64971031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).