6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione

C13H18N4O2 — CID 64875272

IUPAC6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C2CC2)N(Cc2cnn(C)c2)C1=O
InChIInChI=1S/C13H18N4O2/c1-8-13(19)17(7-9-5-14-16(2)6-9)11(10-3-4-10)12(18)15-8/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,18)
InChIKeyNAJZFHYXXQJSLU-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.05
Rot. Bonds3

About 6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione

6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione (PubChem CID 64875272) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
PubChem CID64875272
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C2CC2)N(Cc2cnn(C)c2)C1=O
InChIInChI=1S/C13H18N4O2/c1-8-13(19)17(7-9-5-14-16(2)6-9)11(10-3-4-10)12(18)15-8/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,18)
InChIKeyNAJZFHYXXQJSLU-UHFFFAOYSA-N
XLogP0.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione (CID 64875272) is 6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione is CC1NC(=O)C(C2CC2)N(Cc2cnn(C)c2)C1=O.
What is the InChIKey of 6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione?
The InChIKey is NAJZFHYXXQJSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-13(19)17(7-9-5-14-16(2)6-9)11(10-3-4-10)12(18)15-8/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,18).
What are the key properties of 6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione?
6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64875272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).