6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione

C15H28N2O2 — CID 64872717

IUPAC6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)C(=O)N1CCC(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-7-10(2)12-13(18)16-11(3)14(19)17(12)9-8-15(4,5)6/h10-12H,7-9H2,1-6H3,(H,16,18)
InChIKeyQXTWYPYTWGIPHB-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.18
Rot. Bonds4

About 6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione

6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione (PubChem CID 64872717) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
PubChem CID64872717
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)C(=O)N1CCC(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-7-10(2)12-13(18)16-11(3)14(19)17(12)9-8-15(4,5)6/h10-12H,7-9H2,1-6H3,(H,16,18)
InChIKeyQXTWYPYTWGIPHB-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione (CID 64872717) is 6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione is CCC(C)C1C(=O)NC(C)C(=O)N1CCC(C)(C)C.
What is the InChIKey of 6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione?
The InChIKey is QXTWYPYTWGIPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-7-10(2)12-13(18)16-11(3)14(19)17(12)9-8-15(4,5)6/h10-12H,7-9H2,1-6H3,(H,16,18).
What are the key properties of 6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione?
6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64872717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).