N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride

C15H20Cl3N3O2 — CID 119267757

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CCCNC1.Cl
InChIInChI=1S/C15H19Cl2N3O2.ClH/c1-20(15(22)10-3-2-6-18-8-10)9-14(21)19-11-4-5-12(16)13(17)7-11;/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,19,21);1H
InChIKeyFKEQJVKBRWYKAX-UHFFFAOYSA-N
MW380.70 g/mol
LogP2.81
Rot. Bonds4

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119267757) has the molecular formula C15H20Cl3N3O2 and a molecular weight of 380.70 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119267757
Molecular FormulaC15H20Cl3N3O2
Molecular Weight380.70 g/mol
Exact Mass379.06
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CCCNC1.Cl
InChIInChI=1S/C15H19Cl2N3O2.ClH/c1-20(15(22)10-3-2-6-18-8-10)9-14(21)19-11-4-5-12(16)13(17)7-11;/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,19,21);1H
InChIKeyFKEQJVKBRWYKAX-UHFFFAOYSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.70
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682947
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815619
9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983474
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-3-carboxamide
CID 119291399
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929550
N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63643377
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 43579066
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
N-methyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 54868907

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride (CID 119267757) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is FKEQJVKBRWYKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2.ClH/c1-20(15(22)10-3-2-6-18-8-10)9-14(21)19-11-4-5-12(16)13(17)7-11;/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,19,21);1H.
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 380.70 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119267757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).