N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide

C17H26ClN3O — CID 82224763

IUPACN-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(N)cc1Cl)N1CC(C)CC(C)C1
InChIInChI=1S/C17H26ClN3O/c1-4-16(21-9-11(2)7-12(3)10-21)17(22)20-15-6-5-13(19)8-14(15)18/h5-6,8,11-12,16H,4,7,9-10,19H2,1-3H3,(H,20,22)
InChIKeyAUMKREDVVIRTJB-UHFFFAOYSA-N
MW323.87 g/mol
LogP3.62
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide

N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide (PubChem CID 82224763) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide
PubChem CID82224763
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(N)cc1Cl)N1CC(C)CC(C)C1
InChIInChI=1S/C17H26ClN3O/c1-4-16(21-9-11(2)7-12(3)10-21)17(22)20-15-6-5-13(19)8-14(15)18/h5-6,8,11-12,16H,4,7,9-10,19H2,1-3H3,(H,20,22)
InChIKeyAUMKREDVVIRTJB-UHFFFAOYSA-N
XLogP3.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 53.62
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

(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171
N-(4-amino-2-chlorophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224757
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
N-(4-amino-2-methoxyphenyl)-2-piperidin-1-ylbutanamide
CID 82224747
N-(4-amino-2-methoxyphenyl)-2-morpholin-4-ylbutanamide
CID 82224744
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide
CID 54943567
N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
CID 114537216
N-(4-amino-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102778011
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224762

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide (CID 82224763) is N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide is CCC(C(=O)Nc1ccc(N)cc1Cl)N1CC(C)CC(C)C1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide?
The InChIKey is AUMKREDVVIRTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-4-16(21-9-11(2)7-12(3)10-21)17(22)20-15-6-5-13(19)8-14(15)18/h5-6,8,11-12,16H,4,7,9-10,19H2,1-3H3,(H,20,22).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide?
N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide has a molecular weight of 323.87 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)butanamide is sourced from PubChem (CID 82224763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).