2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone

C13H16Cl2N2O — CID 173077623

IUPAC2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone
SMILESO=C(CNc1ccc(Cl)cc1Cl)C1CCCNC1
InChIInChI=1S/C13H16Cl2N2O/c14-10-3-4-12(11(15)6-10)17-8-13(18)9-2-1-5-16-7-9/h3-4,6,9,16-17H,1-2,5,7-8H2
InChIKeySMYDUEVRARWEBH-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.97
Rot. Bonds4

About 2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone

2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone (PubChem CID 173077623) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone
PubChem CID173077623
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone
SMILESO=C(CNc1ccc(Cl)cc1Cl)C1CCCNC1
InChIInChI=1S/C13H16Cl2N2O/c14-10-3-4-12(11(15)6-10)17-8-13(18)9-2-1-5-16-7-9/h3-4,6,9,16-17H,1-2,5,7-8H2
InChIKeySMYDUEVRARWEBH-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 94705337
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987
2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
CID 116547963
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
CID 107807941
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone?
The IUPAC name of 2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone (CID 173077623) is 2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone.
What is the SMILES notation for 2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone?
The canonical SMILES for 2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone is O=C(CNc1ccc(Cl)cc1Cl)C1CCCNC1.
What is the InChIKey of 2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone?
The InChIKey is SMYDUEVRARWEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-10-3-4-12(11(15)6-10)17-8-13(18)9-2-1-5-16-7-9/h3-4,6,9,16-17H,1-2,5,7-8H2.
What are the key properties of 2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone?
2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone has a molecular weight of 287.19 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone is sourced from PubChem (CID 173077623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).