1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one

C15H22N2O3 — CID 43212285

IUPAC1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
SMILESCOc1ccc(C(N)CN2CCCCC2=O)cc1OC
InChIInChI=1S/C15H22N2O3/c1-19-13-7-6-11(9-14(13)20-2)12(16)10-17-8-4-3-5-15(17)18/h6-7,9,12H,3-5,8,10,16H2,1-2H3
InChIKeyFFTNQMNGUWGEDM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.72
Rot. Bonds5

About 1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one

1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one (PubChem CID 43212285) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
PubChem CID43212285
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
SMILESCOc1ccc(C(N)CN2CCCCC2=O)cc1OC
InChIInChI=1S/C15H22N2O3/c1-19-13-7-6-11(9-14(13)20-2)12(16)10-17-8-4-3-5-15(17)18/h6-7,9,12H,3-5,8,10,16H2,1-2H3
InChIKeyFFTNQMNGUWGEDM-UHFFFAOYSA-N
XLogP1.72
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-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

Related Compounds

1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]piperidin-2-one
CID 43212281
1-[2-amino-2-(2,4-dimethoxyphenyl)ethyl]piperidin-2-one
CID 43212302
1-[2-amino-2-(4-ethylphenyl)ethyl]piperidin-2-one
CID 43212282
1-[2-amino-2-(4-ethylphenyl)ethyl]azepan-2-one
CID 18070971
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]azepan-2-one
CID 60860741
1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one
CID 43212279
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 136577101
1-[3-[(3,4-dimethoxyphenyl)methylamino]-2-hydroxypropyl]pyrrolidin-2-one
CID 10980871
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60931344
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one?
The IUPAC name of 1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one (CID 43212285) is 1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one is COc1ccc(C(N)CN2CCCCC2=O)cc1OC.
What is the InChIKey of 1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one?
The InChIKey is FFTNQMNGUWGEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-7-6-11(9-14(13)20-2)12(16)10-17-8-4-3-5-15(17)18/h6-7,9,12H,3-5,8,10,16H2,1-2H3.
What are the key properties of 1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one?
1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one is sourced from PubChem (CID 43212285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).