1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride

C14H22ClN3O — CID 120705047

IUPAC1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCCC(Nc2ccccc2)C1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-15-10-14(18)17-9-5-8-13(11-17)16-12-6-3-2-4-7-12;/h2-4,6-7,13,15-16H,5,8-11H2,1H3;1H
InChIKeyKZGHCTZQMQFYBP-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.73
Rot. Bonds4

About 1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride

1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride (PubChem CID 120705047) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
PubChem CID120705047
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCCC(Nc2ccccc2)C1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-15-10-14(18)17-9-5-8-13(11-17)16-12-6-3-2-4-7-12;/h2-4,6-7,13,15-16H,5,8-11H2,1H3;1H
InChIKeyKZGHCTZQMQFYBP-UHFFFAOYSA-N
XLogP1.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride 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-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 136516150
1-(3-anilinopiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 75384358
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
(2R)-1-[(3S)-3-anilinopiperidin-1-yl]-2-cyclopropyl-2-methoxyethanone
CID 125140951
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
2-methylsulfanyl-1-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone
CID 45190494
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-2-sulfanylethanone
CID 146483126
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061
1-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-2-phenylsulfanylethanone
CID 42101235
1-[(3S)-3-anilinopiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 42216952

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride (CID 120705047) is 1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1CCCC(Nc2ccccc2)C1.Cl.
What is the InChIKey of 1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride?
The InChIKey is KZGHCTZQMQFYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-15-10-14(18)17-9-5-8-13(11-17)16-12-6-3-2-4-7-12;/h2-4,6-7,13,15-16H,5,8-11H2,1H3;1H.
What are the key properties of 1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride?
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 120705047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).