3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione

C15H21N3O2 — CID 115995318

IUPAC3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione
SMILESCCC(NC)c1ccccc1N1CC(=O)NC(=O)C1C
InChIInChI=1S/C15H21N3O2/c1-4-12(16-3)11-7-5-6-8-13(11)18-9-14(19)17-15(20)10(18)2/h5-8,10,12,16H,4,9H2,1-3H3,(H,17,19,20)
InChIKeyVMJZKPVOFVDQCZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.21
Rot. Bonds4

About 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione

3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione (PubChem CID 115995318) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione
PubChem CID115995318
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione
SMILESCCC(NC)c1ccccc1N1CC(=O)NC(=O)C1C
InChIInChI=1S/C15H21N3O2/c1-4-12(16-3)11-7-5-6-8-13(11)18-9-14(19)17-15(20)10(18)2/h5-8,10,12,16H,4,9H2,1-3H3,(H,17,19,20)
InChIKeyVMJZKPVOFVDQCZ-UHFFFAOYSA-N
XLogP1.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione (CID 115995318) is 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione is CCC(NC)c1ccccc1N1CC(=O)NC(=O)C1C.
What is the InChIKey of 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione?
The InChIKey is VMJZKPVOFVDQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-12(16-3)11-7-5-6-8-13(11)18-9-14(19)17-15(20)10(18)2/h5-8,10,12,16H,4,9H2,1-3H3,(H,17,19,20).
What are the key properties of 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione?
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione has a molecular weight of 275.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazine-2,6-dione is sourced from PubChem (CID 115995318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).