6-butan-2-yl-1-heptylpiperazine-2,5-dione

C15H28N2O2 — CID 64880448

IUPAC6-butan-2-yl-1-heptylpiperazine-2,5-dione
SMILESCCCCCCCN1C(=O)CNC(=O)C1C(C)CC
InChIInChI=1S/C15H28N2O2/c1-4-6-7-8-9-10-17-13(18)11-16-15(19)14(17)12(3)5-2/h12,14H,4-11H2,1-3H3,(H,16,19)
InChIKeyVPRPCHLPHIQBJH-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds8

About 6-butan-2-yl-1-heptylpiperazine-2,5-dione

6-butan-2-yl-1-heptylpiperazine-2,5-dione (PubChem CID 64880448) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 6-butan-2-yl-1-heptylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-1-heptylpiperazine-2,5-dione
PubChem CID64880448
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name6-butan-2-yl-1-heptylpiperazine-2,5-dione
SMILESCCCCCCCN1C(=O)CNC(=O)C1C(C)CC
InChIInChI=1S/C15H28N2O2/c1-4-6-7-8-9-10-17-13(18)11-16-15(19)14(17)12(3)5-2/h12,14H,4-11H2,1-3H3,(H,16,19)
InChIKeyVPRPCHLPHIQBJH-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-heptylpiperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-1-heptylpiperazine-2,5-dione (CID 64880448) is 6-butan-2-yl-1-heptylpiperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-1-heptylpiperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-1-heptylpiperazine-2,5-dione is CCCCCCCN1C(=O)CNC(=O)C1C(C)CC.
What is the InChIKey of 6-butan-2-yl-1-heptylpiperazine-2,5-dione?
The InChIKey is VPRPCHLPHIQBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-6-7-8-9-10-17-13(18)11-16-15(19)14(17)12(3)5-2/h12,14H,4-11H2,1-3H3,(H,16,19).
What are the key properties of 6-butan-2-yl-1-heptylpiperazine-2,5-dione?
6-butan-2-yl-1-heptylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-heptylpiperazine-2,5-dione is sourced from PubChem (CID 64880448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).