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

C15H22ClN3O — CID 16779003

IUPACN-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1C(C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H22ClN3O/c1-10-5-3-4-8-19(10)11(2)15(20)18-12-6-7-13(16)14(17)9-12/h6-7,9-11H,3-5,8,17H2,1-2H3,(H,18,20)
InChIKeyUPVZEZKHMVETDM-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.12
Rot. Bonds3

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

N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide (PubChem CID 16779003) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
PubChem CID16779003
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1C(C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H22ClN3O/c1-10-5-3-4-8-19(10)11(2)15(20)18-12-6-7-13(16)14(17)9-12/h6-7,9-11H,3-5,8,17H2,1-2H3,(H,18,20)
InChIKeyUPVZEZKHMVETDM-UHFFFAOYSA-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-methyl-2-(2-methylpiperidin-1-yl)butanamide
CID 82224817
N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102955990
N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 43176778
N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569431
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779221
N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62122801
N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide
CID 43080187
1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
CID 124835817
N-(3-amino-4-chlorophenyl)azepane-1-carboxamide
CID 79152618

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide (CID 16779003) is N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide is CC1CCCCN1C(C)C(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide?
The InChIKey is UPVZEZKHMVETDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10-5-3-4-8-19(10)11(2)15(20)18-12-6-7-13(16)14(17)9-12/h6-7,9-11H,3-5,8,17H2,1-2H3,(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide?
N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide 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-(2-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 16779003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).