6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione

C15H24N2O2 — CID 116645570

IUPAC6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione
SMILESCC#CCCN1C(=O)C(CC(C)C)NC(=O)C1CC
InChIInChI=1S/C15H24N2O2/c1-5-7-8-9-17-13(6-2)14(18)16-12(15(17)19)10-11(3)4/h11-13H,6,8-10H2,1-4H3,(H,16,18)
InChIKeyZZOZIWXFTDQIDL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.55
Rot. Bonds5

About 6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione

6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione (PubChem CID 116645570) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione
PubChem CID116645570
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione
SMILESCC#CCCN1C(=O)C(CC(C)C)NC(=O)C1CC
InChIInChI=1S/C15H24N2O2/c1-5-7-8-9-17-13(6-2)14(18)16-12(15(17)19)10-11(3)4/h11-13H,6,8-10H2,1-4H3,(H,16,18)
InChIKeyZZOZIWXFTDQIDL-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 107902162
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 114469767
1-but-3-ynyl-3,6-diethylpiperazine-2,5-dione
CID 64972522
6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64966897
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964823
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684
6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64902486
6-ethyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82872513
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione (CID 116645570) is 6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione is CC#CCCN1C(=O)C(CC(C)C)NC(=O)C1CC.
What is the InChIKey of 6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione?
The InChIKey is ZZOZIWXFTDQIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-7-8-9-17-13(6-2)14(18)16-12(15(17)19)10-11(3)4/h11-13H,6,8-10H2,1-4H3,(H,16,18).
What are the key properties of 6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione?
6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione has a molecular weight of 264.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione is sourced from PubChem (CID 116645570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).