3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione

C17H32N2O2 — CID 82926807

IUPAC3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)CC)C(=O)N1CC(CC)CC
InChIInChI=1S/C17H32N2O2/c1-6-10-14-16(20)18-15(12(5)7-2)17(21)19(14)11-13(8-3)9-4/h12-15H,6-11H2,1-5H3,(H,18,20)
InChIKeyWSBHSYQDNURPQP-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.96
Rot. Bonds8

About 3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione

3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione (PubChem CID 82926807) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
PubChem CID82926807
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)CC)C(=O)N1CC(CC)CC
InChIInChI=1S/C17H32N2O2/c1-6-10-14-16(20)18-15(12(5)7-2)17(21)19(14)11-13(8-3)9-4/h12-15H,6-11H2,1-5H3,(H,18,20)
InChIKeyWSBHSYQDNURPQP-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione (CID 82926807) is 3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C(C)CC)C(=O)N1CC(CC)CC.
What is the InChIKey of 3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione?
The InChIKey is WSBHSYQDNURPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-10-14-16(20)18-15(12(5)7-2)17(21)19(14)11-13(8-3)9-4/h12-15H,6-11H2,1-5H3,(H,18,20).
What are the key properties of 3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione?
3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 82926807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).