4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one

C16H24ClN3O — CID 63595234

IUPAC4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one
SMILESCCC(N)C(c1ccccc1Cl)N1CCNC(=O)C1(C)C
InChIInChI=1S/C16H24ClN3O/c1-4-13(18)14(11-7-5-6-8-12(11)17)20-10-9-19-15(21)16(20,2)3/h5-8,13-14H,4,9-10,18H2,1-3H3,(H,19,21)
InChIKeyAPOAYFQFOOCHMP-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.33
Rot. Bonds4

About 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one

4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63595234) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one
PubChem CID63595234
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one
SMILESCCC(N)C(c1ccccc1Cl)N1CCNC(=O)C1(C)C
InChIInChI=1S/C16H24ClN3O/c1-4-13(18)14(11-7-5-6-8-12(11)17)20-10-9-19-15(21)16(20,2)3/h5-8,13-14H,4,9-10,18H2,1-3H3,(H,19,21)
InChIKeyAPOAYFQFOOCHMP-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-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 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one (CID 63595234) is 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one is CCC(N)C(c1ccccc1Cl)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is APOAYFQFOOCHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-4-13(18)14(11-7-5-6-8-12(11)17)20-10-9-19-15(21)16(20,2)3/h5-8,13-14H,4,9-10,18H2,1-3H3,(H,19,21).
What are the key properties of 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one?
4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 309.84 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(2-chlorophenyl)butyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63595234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).