6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione

C17H22N2O2 — CID 64874922

IUPAC6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
SMILESCc1ccccc1CN1C(=O)C(C)NC(=O)C1(C)C1CC1
InChIInChI=1S/C17H22N2O2/c1-11-6-4-5-7-13(11)10-19-15(20)12(2)18-16(21)17(19,3)14-8-9-14/h4-7,12,14H,8-10H2,1-3H3,(H,18,21)
InChIKeyZIIHSNZRNXUCBJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.01
Rot. Bonds3

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

6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64874922) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
PubChem CID64874922
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
SMILESCc1ccccc1CN1C(=O)C(C)NC(=O)C1(C)C1CC1
InChIInChI=1S/C17H22N2O2/c1-11-6-4-5-7-13(11)10-19-15(20)12(2)18-16(21)17(19,3)14-8-9-14/h4-7,12,14H,8-10H2,1-3H3,(H,18,21)
InChIKeyZIIHSNZRNXUCBJ-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione (CID 64874922) is 6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione is Cc1ccccc1CN1C(=O)C(C)NC(=O)C1(C)C1CC1.
What is the InChIKey of 6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is ZIIHSNZRNXUCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-6-4-5-7-13(11)10-19-15(20)12(2)18-16(21)17(19,3)14-8-9-14/h4-7,12,14H,8-10H2,1-3H3,(H,18,21).
What are the key properties of 6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione?
6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3,6-dimethyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64874922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).