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

C25H27N3O — CID 25023853

IUPACN-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N3O/c26-23-8-4-5-9-24(23)27-25(29)22-12-10-20(11-13-22)21-14-16-28(17-15-21)18-19-6-2-1-3-7-19/h1-13,21H,14-18,26H2,(H,27,29)
InChIKeyITRKUDJHKGMANV-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.90
Rot. Bonds5

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

N-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide (PubChem CID 25023853) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide
PubChem CID25023853
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N3O/c26-23-8-4-5-9-24(23)27-25(29)22-12-10-20(11-13-22)21-14-16-28(17-15-21)18-19-6-2-1-3-7-19/h1-13,21H,14-18,26H2,(H,27,29)
InChIKeyITRKUDJHKGMANV-UHFFFAOYSA-N
XLogP4.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.90
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-benzylpiperidin-4-yl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide (CID 25023853) is N-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide is Nc1ccccc1NC(=O)c1ccc(C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide?
The InChIKey is ITRKUDJHKGMANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c26-23-8-4-5-9-24(23)27-25(29)22-12-10-20(11-13-22)21-14-16-28(17-15-21)18-19-6-2-1-3-7-19/h1-13,21H,14-18,26H2,(H,27,29).
What are the key properties of N-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide?
N-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide has a molecular weight of 385.51 g/mol, XLogP of 4.90, 5 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-benzylpiperidin-4-yl)benzamide is sourced from PubChem (CID 25023853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).