2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone

C15H19Cl2NO2 — CID 47735745

IUPAC2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2NO2/c1-2-20-12-4-3-7-18(10-12)15(19)9-11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3
InChIKeyTUKNVJOCRKLWJW-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.56
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone

2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone (PubChem CID 47735745) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone
PubChem CID47735745
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2NO2/c1-2-20-12-4-3-7-18(10-12)15(19)9-11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3
InChIKeyTUKNVJOCRKLWJW-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)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

2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 134061564
2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313849
1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 112763003
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541
1-[2-(3-chloro-4-ethoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 84613825
1-[(3S)-3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 122516850
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562540
2-(3,4-dichlorophenyl)-1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]ethanone
CID 133128631
2-(3,4-dichlorophenyl)-1-[(3R,5S)-3,5-dimethyl-1,4-diazepan-1-yl]ethanone
CID 143445652

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone (CID 47735745) is 2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone is CCOC1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone?
The InChIKey is TUKNVJOCRKLWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-2-20-12-4-3-7-18(10-12)15(19)9-11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone?
2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone has a molecular weight of 316.23 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 47735745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).