1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione

C14H26N2O2 — CID 64874004

IUPAC1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(C(C)C)NC(=O)C1(C)CC
InChIInChI=1S/C14H26N2O2/c1-6-8-9-16-12(17)11(10(3)4)15-13(18)14(16,5)7-2/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyWNOZYWBPHSDOMU-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds5

About 1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione

1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64874004) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64874004
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(C(C)C)NC(=O)C1(C)CC
InChIInChI=1S/C14H26N2O2/c1-6-8-9-16-12(17)11(10(3)4)15-13(18)14(16,5)7-2/h10-11H,6-9H2,1-5H3,(H,15,18)
InChIKeyWNOZYWBPHSDOMU-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione (CID 64874004) is 1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione is CCCCN1C(=O)C(C(C)C)NC(=O)C1(C)CC.
What is the InChIKey of 1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is WNOZYWBPHSDOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-8-9-16-12(17)11(10(3)4)15-13(18)14(16,5)7-2/h10-11H,6-9H2,1-5H3,(H,15,18).
What are the key properties of 1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64874004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).