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

C17H22N2O2 — CID 64886897

IUPAC3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
SMILESCc1cccc(CN2C(=O)C(C)(C3CC3)NC(=O)C2C)c1
InChIInChI=1S/C17H22N2O2/c1-11-5-4-6-13(9-11)10-19-12(2)15(20)18-17(3,16(19)21)14-7-8-14/h4-6,9,12,14H,7-8,10H2,1-3H3,(H,18,20)
InChIKeyZVFHGXWDQHUYEQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.01
Rot. Bonds3

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

3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64886897) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
PubChem CID64886897
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
SMILESCc1cccc(CN2C(=O)C(C)(C3CC3)NC(=O)C2C)c1
InChIInChI=1S/C17H22N2O2/c1-11-5-4-6-13(9-11)10-19-12(2)15(20)18-17(3,16(19)21)14-7-8-14/h4-6,9,12,14H,7-8,10H2,1-3H3,(H,18,20)
InChIKeyZVFHGXWDQHUYEQ-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 3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione (CID 64886897) is 3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione is Cc1cccc(CN2C(=O)C(C)(C3CC3)NC(=O)C2C)c1.
What is the InChIKey of 3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is ZVFHGXWDQHUYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-5-4-6-13(9-11)10-19-12(2)15(20)18-17(3,16(19)21)14-7-8-14/h4-6,9,12,14H,7-8,10H2,1-3H3,(H,18,20).
What are the key properties of 3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione?
3-cyclopropyl-3,6-dimethyl-1-[(3-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 3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64886897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).