6-methyl-1-pent-4-ynylpiperazine-2,5-dione

C10H14N2O2 — CID 106222227

IUPAC6-methyl-1-pent-4-ynylpiperazine-2,5-dione
SMILESC#CCCCN1C(=O)CNC(=O)C1C
InChIInChI=1S/C10H14N2O2/c1-3-4-5-6-12-8(2)10(14)11-7-9(12)13/h1,8H,4-7H2,2H3,(H,11,14)
InChIKeyLRJFDVAWGMAFLP-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.25
Rot. Bonds3

About 6-methyl-1-pent-4-ynylpiperazine-2,5-dione

6-methyl-1-pent-4-ynylpiperazine-2,5-dione (PubChem CID 106222227) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-methyl-1-pent-4-ynylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-pent-4-ynylpiperazine-2,5-dione
PubChem CID106222227
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-methyl-1-pent-4-ynylpiperazine-2,5-dione
SMILESC#CCCCN1C(=O)CNC(=O)C1C
InChIInChI=1S/C10H14N2O2/c1-3-4-5-6-12-8(2)10(14)11-7-9(12)13/h1,8H,4-7H2,2H3,(H,11,14)
InChIKeyLRJFDVAWGMAFLP-UHFFFAOYSA-N
XLogP-0.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-pent-4-ynylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-pent-4-ynylpiperazine-2,5-dione (CID 106222227) is 6-methyl-1-pent-4-ynylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-pent-4-ynylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-pent-4-ynylpiperazine-2,5-dione is C#CCCCN1C(=O)CNC(=O)C1C.
What is the InChIKey of 6-methyl-1-pent-4-ynylpiperazine-2,5-dione?
The InChIKey is LRJFDVAWGMAFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-4-5-6-12-8(2)10(14)11-7-9(12)13/h1,8H,4-7H2,2H3,(H,11,14).
What are the key properties of 6-methyl-1-pent-4-ynylpiperazine-2,5-dione?
6-methyl-1-pent-4-ynylpiperazine-2,5-dione has a molecular weight of 194.23 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pent-4-ynylpiperazine-2,5-dione is sourced from PubChem (CID 106222227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).