2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone

C13H16Cl2N2O — CID 28568208

IUPAC2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
SMILESO=C(CNc1cc(Cl)ccc1Cl)N1CCCCC1
InChIInChI=1S/C13H16Cl2N2O/c14-10-4-5-11(15)12(8-10)16-9-13(18)17-6-2-1-3-7-17/h4-5,8,16H,1-3,6-7,9H2
InChIKeyIKARBVGEOFEQBL-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.42
Rot. Bonds3

About 2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone

2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone (PubChem CID 28568208) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
PubChem CID28568208
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
SMILESO=C(CNc1cc(Cl)ccc1Cl)N1CCCCC1
InChIInChI=1S/C13H16Cl2N2O/c14-10-4-5-11(15)12(8-10)16-9-13(18)17-6-2-1-3-7-17/h4-5,8,16H,1-3,6-7,9H2
InChIKeyIKARBVGEOFEQBL-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
2-(2,5-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002270
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697
1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid
CID 103232277
2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone
CID 60694052
2-[4-chloro-2-[hydroxy(phenyl)methyl]anilino]-1-pyrrolidin-1-ylethanone
CID 122150652
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
CID 55118306
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54819586
3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013396

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone (CID 28568208) is 2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone is O=C(CNc1cc(Cl)ccc1Cl)N1CCCCC1.
What is the InChIKey of 2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone?
The InChIKey is IKARBVGEOFEQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-10-4-5-11(15)12(8-10)16-9-13(18)17-6-2-1-3-7-17/h4-5,8,16H,1-3,6-7,9H2.
What are the key properties of 2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone?
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone has a molecular weight of 287.19 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 28568208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).