1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione

C13H24N2O2 — CID 104830282

IUPAC1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-6-7-10-12(17)15(8-11(16)14-10)9(2)13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyGAYOPZYOCUORQH-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds3

About 1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione

1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione (PubChem CID 104830282) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione
PubChem CID104830282
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-6-7-10-12(17)15(8-11(16)14-10)9(2)13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyGAYOPZYOCUORQH-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione
CID 64969313
1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965650
1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione
CID 64966088
1-(1-methoxypropan-2-yl)-3-propyl-1,4-diazepane-2,5-dione
CID 64956632
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
CID 79351163
1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione
CID 64966621
1-(2-tert-butylsulfonylethyl)-3-propylpiperazine-2,5-dione
CID 106733709
1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64972911
3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione
CID 104830298
1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione
CID 104592447
1-tert-butyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64956085

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione (CID 104830282) is 1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(C(C)C(C)(C)C)C1=O.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione?
The InChIKey is GAYOPZYOCUORQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-7-10-12(17)15(8-11(16)14-10)9(2)13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione?
1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 104830282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).