4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one

C15H23N3O — CID 103958913

IUPAC4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one
SMILESCC[C@@H](N)c1ccccc1N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H23N3O/c1-4-12(16)11-7-5-6-8-13(11)18-10-9-17-14(19)15(18,2)3/h5-8,12H,4,9-10,16H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyASROCRXMCKPECX-GFCCVEGCSA-N
MW261.37 g/mol
LogP1.81
Rot. Bonds3

About 4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one

4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one (PubChem CID 103958913) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one
PubChem CID103958913
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one
SMILESCC[C@@H](N)c1ccccc1N1CCNC(=O)C1(C)C
InChIInChI=1S/C15H23N3O/c1-4-12(16)11-7-5-6-8-13(11)18-10-9-17-14(19)15(18,2)3/h5-8,12H,4,9-10,16H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyASROCRXMCKPECX-GFCCVEGCSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(1R)-1-aminopropyl]phenyl]-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-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one (CID 103958913) is 4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one is CC[C@@H](N)c1ccccc1N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is ASROCRXMCKPECX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-12(16)11-7-5-6-8-13(11)18-10-9-17-14(19)15(18,2)3/h5-8,12H,4,9-10,16H2,1-3H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one?
4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1R)-1-aminopropyl]phenyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 103958913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).