3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione

C16H23N3O2 — CID 66062756

IUPAC3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione
SMILESCC(C)CNCc1ccccc1N1CC(=O)NC(=O)C1C
InChIInChI=1S/C16H23N3O2/c1-11(2)8-17-9-13-6-4-5-7-14(13)19-10-15(20)18-16(21)12(19)3/h4-7,11-12,17H,8-10H2,1-3H3,(H,18,20,21)
InChIKeyABVLARYNMAXIRW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.28
Rot. Bonds5

About 3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione

3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione (PubChem CID 66062756) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione
PubChem CID66062756
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione
SMILESCC(C)CNCc1ccccc1N1CC(=O)NC(=O)C1C
InChIInChI=1S/C16H23N3O2/c1-11(2)8-17-9-13-6-4-5-7-14(13)19-10-15(20)18-16(21)12(19)3/h4-7,11-12,17H,8-10H2,1-3H3,(H,18,20,21)
InChIKeyABVLARYNMAXIRW-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.28
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-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione (CID 66062756) is 3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione is CC(C)CNCc1ccccc1N1CC(=O)NC(=O)C1C.
What is the InChIKey of 3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione?
The InChIKey is ABVLARYNMAXIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)8-17-9-13-6-4-5-7-14(13)19-10-15(20)18-16(21)12(19)3/h4-7,11-12,17H,8-10H2,1-3H3,(H,18,20,21).
What are the key properties of 3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione?
3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione has a molecular weight of 289.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione is sourced from PubChem (CID 66062756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).