N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide

C15H22ClN3O — CID 62331552

IUPACN-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2cc(N)ccc2Cl)C(C)C1
InChIInChI=1S/C15H22ClN3O/c1-10-5-6-19(11(2)7-10)9-15(20)18-14-8-12(17)3-4-13(14)16/h3-4,8,10-11H,5-7,9,17H2,1-2H3,(H,18,20)
InChIKeyWWAGAKRHQYBIRW-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.98
Rot. Bonds3

About N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide

N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide (PubChem CID 62331552) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
PubChem CID62331552
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2cc(N)ccc2Cl)C(C)C1
InChIInChI=1S/C15H22ClN3O/c1-10-5-6-19(11(2)7-10)9-15(20)18-14-8-12(17)3-4-13(14)16/h3-4,8,10-11H,5-7,9,17H2,1-2H3,(H,18,20)
InChIKeyWWAGAKRHQYBIRW-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62330463
N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62345348
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152
N-(2-amino-4,6-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331165
N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide
CID 62329763
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331925
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 103441586
N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584042
N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 43613723
N-(5-amino-2-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)acetamide
CID 63216260
1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375570
N-(5-amino-2-chlorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)acetamide
CID 63156744

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide (CID 62331552) is N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2cc(N)ccc2Cl)C(C)C1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide?
The InChIKey is WWAGAKRHQYBIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10-5-6-19(11(2)7-10)9-15(20)18-14-8-12(17)3-4-13(14)16/h3-4,8,10-11H,5-7,9,17H2,1-2H3,(H,18,20).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide?
N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62331552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).