2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone

C16H17Cl2N3O — CID 95313849

IUPAC2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C16H17Cl2N3O/c17-14-4-3-12(8-15(14)18)9-16(22)20-6-1-2-13(10-20)21-7-5-19-11-21/h3-5,7-8,11,13H,1-2,6,9-10H2/t13-/m1/s1
InChIKeyRBZSAFGEWHPXQJ-CYBMUJFWSA-N
MW338.24 g/mol
LogP3.60
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone

2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone (PubChem CID 95313849) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
PubChem CID95313849
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C16H17Cl2N3O/c17-14-4-3-12(8-15(14)18)9-16(22)20-6-1-2-13(10-20)21-7-5-19-11-21/h3-5,7-8,11,13H,1-2,6,9-10H2/t13-/m1/s1
InChIKeyRBZSAFGEWHPXQJ-CYBMUJFWSA-N
XLogP3.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 95346883
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95569054
2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 47735745
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 95317069
2-(3,4-dichlorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995158
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone
CID 51107647
2-[4-[2-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetonitrile
CID 95313073
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 95313838
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 95313726

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone (CID 95313849) is 2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](n2ccnc2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone?
The InChIKey is RBZSAFGEWHPXQJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c17-14-4-3-12(8-15(14)18)9-16(22)20-6-1-2-13(10-20)21-7-5-19-11-21/h3-5,7-8,11,13H,1-2,6,9-10H2/t13-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone has a molecular weight of 338.24 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone is sourced from PubChem (CID 95313849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).