1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone

C15H22N2O3 — CID 62547508

IUPAC1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
SMILESCN1CCCC(N(C)CC(=O)c2ccc(O)c(O)c2)C1
InChIInChI=1S/C15H22N2O3/c1-16-7-3-4-12(9-16)17(2)10-15(20)11-5-6-13(18)14(19)8-11/h5-6,8,12,18-19H,3-4,7,9-10H2,1-2H3
InChIKeyNJQZAAGLATYABY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.31
Rot. Bonds4

About 1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone

1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone (PubChem CID 62547508) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
PubChem CID62547508
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
SMILESCN1CCCC(N(C)CC(=O)c2ccc(O)c(O)c2)C1
InChIInChI=1S/C15H22N2O3/c1-16-7-3-4-12(9-16)17(2)10-15(20)11-5-6-13(18)14(19)8-11/h5-6,8,12,18-19H,3-4,7,9-10H2,1-2H3
InChIKeyNJQZAAGLATYABY-UHFFFAOYSA-N
XLogP1.31
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone 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-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547145
2-[cyclopentylmethyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
CID 63632491
1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547329
4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 103873474
3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 103955316
1-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-methylamino]ethanone;hydrochloride
CID 175674657
1-(3,4-dihydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219441
N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
CID 103956034
N-(4-aminophenyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545498
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
6-methyl-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]pyridin-3-ol
CID 82979829
[(3S)-3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 95716910

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone?
The IUPAC name of 1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone (CID 62547508) is 1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone?
The canonical SMILES for 1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone is CN1CCCC(N(C)CC(=O)c2ccc(O)c(O)c2)C1.
What is the InChIKey of 1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone?
The InChIKey is NJQZAAGLATYABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-7-3-4-12(9-16)17(2)10-15(20)11-5-6-13(18)14(19)8-11/h5-6,8,12,18-19H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone?
1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone has a molecular weight of 278.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxyphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone is sourced from PubChem (CID 62547508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).