1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione

C14H26N2O2 — CID 86188091

IUPAC1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(C)N(CCCC)C(=O)C1C
InChIInChI=1S/C14H26N2O2/c1-5-7-9-15-11(3)14(18)16(10-8-6-2)12(4)13(15)17/h11-12H,5-10H2,1-4H3
InChIKeyILUUUZNYBRPFPU-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.03
Rot. Bonds6

About 1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione

1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 86188091) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID86188091
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(C)N(CCCC)C(=O)C1C
InChIInChI=1S/C14H26N2O2/c1-5-7-9-15-11(3)14(18)16(10-8-6-2)12(4)13(15)17/h11-12H,5-10H2,1-4H3
InChIKeyILUUUZNYBRPFPU-UHFFFAOYSA-N
XLogP2.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione (CID 86188091) is 1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione is CCCCN1C(=O)C(C)N(CCCC)C(=O)C1C.
What is the InChIKey of 1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is ILUUUZNYBRPFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-7-9-15-11(3)14(18)16(10-8-6-2)12(4)13(15)17/h11-12H,5-10H2,1-4H3.
What are the key properties of 1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione?
1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 86188091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).