N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide

C15H22ClN3O — CID 30111948

IUPACN-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCC[C@H](C)N1CC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H22ClN3O/c1-10-4-3-5-11(2)19(10)9-15(20)18-12-6-7-13(16)14(17)8-12/h6-8,10-11H,3-5,9,17H2,1-2H3,(H,18,20)/t10-,11+
InChIKeyHAHVBQWHVYUOOE-PHIMTYICSA-N
MW295.81 g/mol
LogP3.12
Rot. Bonds3

About N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide

N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide (PubChem CID 30111948) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
PubChem CID30111948
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCC[C@H](C)N1CC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H22ClN3O/c1-10-4-3-5-11(2)19(10)9-15(20)18-12-6-7-13(16)14(17)8-12/h6-8,10-11H,3-5,9,17H2,1-2H3,(H,18,20)/t10-,11+
InChIKeyHAHVBQWHVYUOOE-PHIMTYICSA-N
XLogP3.12
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 ≤ 53.12
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-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide
CID 43080187
N-(3-amino-4-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668021
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
N-(3,4-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 78843301
N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956361
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025
N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779003
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(3-amino-4-chlorophenyl)acetamide
CID 79928265
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 104967022
N-(3-amino-4-chlorophenyl)-3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62720451
N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16794185

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide (CID 30111948) is N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide is C[C@@H]1CCC[C@H](C)N1CC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide?
The InChIKey is HAHVBQWHVYUOOE-PHIMTYICSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10-4-3-5-11(2)19(10)9-15(20)18-12-6-7-13(16)14(17)8-12/h6-8,10-11H,3-5,9,17H2,1-2H3,(H,18,20)/t10-,11+.
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide?
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide has a molecular weight of 295.81 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide is sourced from PubChem (CID 30111948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).