N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide

C19H23N3O — CID 25023852

IUPACN-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChIInChI=1S/C19H23N3O/c1-22-12-10-15(11-13-22)14-6-8-16(9-7-14)19(23)21-18-5-3-2-4-17(18)20/h2-9,15H,10-13,20H2,1H3,(H,21,23)
InChIKeySKBWGAWCOQBGQJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.33
Rot. Bonds3

About N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide

N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide (PubChem CID 25023852) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide
PubChem CID25023852
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChIInChI=1S/C19H23N3O/c1-22-12-10-15(11-13-22)14-6-8-16(9-7-14)19(23)21-18-5-3-2-4-17(18)20/h2-9,15H,10-13,20H2,1H3,(H,21,23)
InChIKeySKBWGAWCOQBGQJ-UHFFFAOYSA-N
XLogP3.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide (CID 25023852) is N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide is CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1.
What is the InChIKey of N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is SKBWGAWCOQBGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-22-12-10-15(11-13-22)14-6-8-16(9-7-14)19(23)21-18-5-3-2-4-17(18)20/h2-9,15H,10-13,20H2,1H3,(H,21,23).
What are the key properties of N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide?
N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 25023852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).