3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one

C16H23N3O2 — CID 104547897

IUPAC3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one
SMILESCNCCc1ccccc1C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C16H23N3O2/c1-16(2)15(21)18-10-11-19(16)14(20)13-7-5-4-6-12(13)8-9-17-3/h4-7,17H,8-11H2,1-3H3,(H,18,21)
InChIKeyONYORZRHKRPIEA-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.80
Rot. Bonds4

About 3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one

3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one (PubChem CID 104547897) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one
PubChem CID104547897
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one
SMILESCNCCc1ccccc1C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C16H23N3O2/c1-16(2)15(21)18-10-11-19(16)14(20)13-7-5-4-6-12(13)8-9-17-3/h4-7,17H,8-11H2,1-3H3,(H,18,21)
InChIKeyONYORZRHKRPIEA-UHFFFAOYSA-N
XLogP0.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one (CID 104547897) is 3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one is CNCCc1ccccc1C(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one?
The InChIKey is ONYORZRHKRPIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2)15(21)18-10-11-19(16)14(20)13-7-5-4-6-12(13)8-9-17-3/h4-7,17H,8-11H2,1-3H3,(H,18,21).
What are the key properties of 3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one?
3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one has a molecular weight of 289.38 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one is sourced from PubChem (CID 104547897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).