3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione

C15H16N4O2 — CID 79781955

IUPAC3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione
SMILESCn1ccc(N2CC(=O)NC(Cc3ccccc3)C2=O)n1
InChIInChI=1S/C15H16N4O2/c1-18-8-7-13(17-18)19-10-14(20)16-12(15(19)21)9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,16,20)
InChIKeyRROCCOPMAJEMIE-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.49
Rot. Bonds3

About 3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione

3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione (PubChem CID 79781955) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione
PubChem CID79781955
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione
SMILESCn1ccc(N2CC(=O)NC(Cc3ccccc3)C2=O)n1
InChIInChI=1S/C15H16N4O2/c1-18-8-7-13(17-18)19-10-14(20)16-12(15(19)21)9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,16,20)
InChIKeyRROCCOPMAJEMIE-UHFFFAOYSA-N
XLogP0.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-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

3-benzyl-1-cyclobutylpiperazine-2,5-dione
CID 64969345
3-benzyl-1-hex-5-ynylpiperazine-2,5-dione
CID 106210867
3-benzyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64883140
3-benzyl-1-pentyl-1,4-diazepane-2,5-dione
CID 64881775
1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59324773
(5S)-5-benzylpyrrolidine-2,4-dione
CID 82404721
3-benzyl-1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
CID 64881776
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane-2,5-dione
CID 64969237
3-benzyl-1-butan-2-yl-7-methyl-1,4-diazepane-2,5-dione
CID 79445452
(3S,6S,9R,12S,15S,18R)-3,6,9,12,15,18-hexabenzyl-1,10-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 10855003
(3R,11aS)-3-benzyl-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
CID 11781738
3-benzyl-1-(cyclopropylmethyl)-1,4-diazepane-2,5-dione
CID 64881777

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione?
The IUPAC name of 3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione (CID 79781955) is 3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione is Cn1ccc(N2CC(=O)NC(Cc3ccccc3)C2=O)n1.
What is the InChIKey of 3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione?
The InChIKey is RROCCOPMAJEMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-18-8-7-13(17-18)19-10-14(20)16-12(15(19)21)9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,16,20).
What are the key properties of 3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione?
3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione has a molecular weight of 284.32 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 79781955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).