6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione

C17H24N2O2 — CID 64873895

IUPAC6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)C(=O)N1Cc1cccc(C)c1
InChIInChI=1S/C17H24N2O2/c1-5-12(3)15-16(20)18-13(4)17(21)19(15)10-14-8-6-7-11(2)9-14/h6-9,12-13,15H,5,10H2,1-4H3,(H,18,20)
InChIKeyGJNYGNJJDHMOLP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.26
Rot. Bonds4

About 6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione

6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64873895) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
PubChem CID64873895
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)C(=O)N1Cc1cccc(C)c1
InChIInChI=1S/C17H24N2O2/c1-5-12(3)15-16(20)18-13(4)17(21)19(15)10-14-8-6-7-11(2)9-14/h6-9,12-13,15H,5,10H2,1-4H3,(H,18,20)
InChIKeyGJNYGNJJDHMOLP-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.26
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-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione (CID 64873895) is 6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione is CCC(C)C1C(=O)NC(C)C(=O)N1Cc1cccc(C)c1.
What is the InChIKey of 6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is GJNYGNJJDHMOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-12(3)15-16(20)18-13(4)17(21)19(15)10-14-8-6-7-11(2)9-14/h6-9,12-13,15H,5,10H2,1-4H3,(H,18,20).
What are the key properties of 6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione?
6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.26, 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-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64873895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).