N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide

C16H25N3O — CID 82224680

IUPACN-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1cccc(N)c1)N1CCCCC1C
InChIInChI=1S/C16H25N3O/c1-3-15(19-10-5-4-7-12(19)2)16(20)18-14-9-6-8-13(17)11-14/h6,8-9,11-12,15H,3-5,7,10,17H2,1-2H3,(H,18,20)
InChIKeyUVARDFYZSZEQFW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.86
Rot. Bonds4

About N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide

N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide (PubChem CID 82224680) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide
PubChem CID82224680
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1cccc(N)c1)N1CCCCC1C
InChIInChI=1S/C16H25N3O/c1-3-15(19-10-5-4-7-12(19)2)16(20)18-14-9-6-8-13(17)11-14/h6,8-9,11-12,15H,3-5,7,10,17H2,1-2H3,(H,18,20)
InChIKeyUVARDFYZSZEQFW-UHFFFAOYSA-N
XLogP2.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.86
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-methylpiperidin-1-yl)butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide?
The IUPAC name of N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide (CID 82224680) is N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide is CCC(C(=O)Nc1cccc(N)c1)N1CCCCC1C.
What is the InChIKey of N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide?
The InChIKey is UVARDFYZSZEQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-15(19-10-5-4-7-12(19)2)16(20)18-14-9-6-8-13(17)11-14/h6,8-9,11-12,15H,3-5,7,10,17H2,1-2H3,(H,18,20).
What are the key properties of N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide?
N-(3-aminophenyl)-2-(2-methylpiperidin-1-yl)butanamide has a molecular weight of 275.40 g/mol, XLogP of 2.86, 4 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-methylpiperidin-1-yl)butanamide is sourced from PubChem (CID 82224680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).