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

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

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Related Compounds

6-ethyl-3,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64874502
6-ethyl-6-methyl-1-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107056448
6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64874006
6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione
CID 83169739
6-ethyl-6-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873826
6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 81113360
6-ethyl-3,6-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474617
3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83148918
6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874208
1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901357
6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 104650364
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione
CID 106440716

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).