1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone

C13H16Cl2N2O — CID 43772128

IUPAC1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O/c1-9(18)17-7-5-10(6-8-17)16-12-4-2-3-11(14)13(12)15/h2-4,10,16H,5-8H2,1H3
InChIKeyCJJRTWNOVVLXJG-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.42
Rot. Bonds2

About 1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone

1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone (PubChem CID 43772128) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
PubChem CID43772128
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O/c1-9(18)17-7-5-10(6-8-17)16-12-4-2-3-11(14)13(12)15/h2-4,10,16H,5-8H2,1H3
InChIKeyCJJRTWNOVVLXJG-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(2,3-dichloroanilino)acetamide
CID 86910665
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone
CID 43772607
N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine
CID 106820286
4-[3-chloro-2-(dimethylamino)anilino]piperidine-1-carboxamide
CID 43789870
N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
CID 65074283
1-[4-(2,4,6-trichloroanilino)piperidin-1-yl]ethanone
CID 43773654
N-(1-acetylpiperidin-4-yl)-2-(3-chloro-2-methylanilino)acetamide
CID 86910543
tert-butyl 3-(2,3-dichloroanilino)azetidine-1-carboxylate
CID 63422241
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
CID 43773718
1-[4-[(2,3,6-trichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43234694
1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone (CID 43772128) is 1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone?
The InChIKey is CJJRTWNOVVLXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-9(18)17-7-5-10(6-8-17)16-12-4-2-3-11(14)13(12)15/h2-4,10,16H,5-8H2,1H3.
What are the key properties of 1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone?
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone has a molecular weight of 287.19 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43772128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).