N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide

C17H26ClN3O — CID 82224817

IUPACN-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(Cl)c(N)c1)N1CCCCC1C
InChIInChI=1S/C17H26ClN3O/c1-11(2)16(21-9-5-4-6-12(21)3)17(22)20-13-7-8-14(18)15(19)10-13/h7-8,10-12,16H,4-6,9,19H2,1-3H3,(H,20,22)
InChIKeyHPNULRYTUCPCMN-UHFFFAOYSA-N
MW323.87 g/mol
LogP3.76
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide

N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide (PubChem CID 82224817) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide
PubChem CID82224817
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC NameN-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide
SMILESCC(C)C(C(=O)Nc1ccc(Cl)c(N)c1)N1CCCCC1C
InChIInChI=1S/C17H26ClN3O/c1-11(2)16(21-9-5-4-6-12(21)3)17(22)20-13-7-8-14(18)15(19)10-13/h7-8,10-12,16H,4-6,9,19H2,1-3H3,(H,20,22)
InChIKeyHPNULRYTUCPCMN-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779003
N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102955990
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide
CID 43080187
N-(3-amino-4-chlorophenyl)azepane-1-carboxamide
CID 79152618
N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569431
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
CID 61440840
N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide
CID 82224680
1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834
N-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025
N-(3-amino-4-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82733743

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide (CID 82224817) is N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide is CC(C)C(C(=O)Nc1ccc(Cl)c(N)c1)N1CCCCC1C.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide?
The InChIKey is HPNULRYTUCPCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-11(2)16(21-9-5-4-6-12(21)3)17(22)20-13-7-8-14(18)15(19)10-13/h7-8,10-12,16H,4-6,9,19H2,1-3H3,(H,20,22).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide?
N-(3-amino-4-chlorophenyl)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide has a molecular weight of 323.87 g/mol, XLogP of 3.76, 4 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)-3-methyl-2-(2-methylpiperidin-1-yl)butanamide is sourced from PubChem (CID 82224817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).