N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide

C16H25N3O — CID 62122801

IUPACN-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2cccc(N)c2)C1C
InChIInChI=1S/C16H25N3O/c1-11-6-5-9-19(12(11)2)13(3)16(20)18-15-8-4-7-14(17)10-15/h4,7-8,10-13H,5-6,9,17H2,1-3H3,(H,18,20)
InChIKeyWFGFXQHIRJGTTG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.72
Rot. Bonds3

About N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide

N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide (PubChem CID 62122801) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
PubChem CID62122801
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2cccc(N)c2)C1C
InChIInChI=1S/C16H25N3O/c1-11-6-5-9-19(12(11)2)13(3)16(20)18-15-8-4-7-14(17)10-15/h4,7-8,10-13H,5-6,9,17H2,1-3H3,(H,18,20)
InChIKeyWFGFXQHIRJGTTG-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124049
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide
CID 82224680
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 43581148
N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779003
N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224642
N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
CID 66083868
2-amino-N-(3-aminophenyl)propanamide
CID 110478892

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide (CID 62122801) is N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide is CC1CCCN(C(C)C(=O)Nc2cccc(N)c2)C1C.
What is the InChIKey of N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide?
The InChIKey is WFGFXQHIRJGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-6-5-9-19(12(11)2)13(3)16(20)18-15-8-4-7-14(17)10-15/h4,7-8,10-13H,5-6,9,17H2,1-3H3,(H,18,20).
What are the key properties of N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide?
N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 62122801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).