3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride

C21H26ClN3O2 — CID 120609510

IUPAC3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C21H25N3O2.ClH/c22-19-10-3-2-7-16(19)11-12-20(25)23-18-9-6-8-17(15-18)21(26)24-13-4-1-5-14-24;/h2-3,6-10,15H,1,4-5,11-14,22H2,(H,23,25);1H
InChIKeyFZLJZZUJACMAOW-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.89
Rot. Bonds5

About 3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride (PubChem CID 120609510) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
PubChem CID120609510
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C21H25N3O2.ClH/c22-19-10-3-2-7-16(19)11-12-20(25)23-18-9-6-8-17(15-18)21(26)24-13-4-1-5-14-24;/h2-3,6-10,15H,1,4-5,11-14,22H2,(H,23,25);1H
InChIKeyFZLJZZUJACMAOW-UHFFFAOYSA-N
XLogP3.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride 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

3-(2-fluorophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide
CID 55862325
3-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272917
4-amino-N-[3-(piperidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 120560909
3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 26158318
3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide
CID 54795525
N-[3-(azepane-1-carbonyl)phenyl]-4-chlorobutanamide
CID 26159666
3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 54795481
5-oxo-5-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 110353707
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
N-[3-(piperidine-1-carbonyl)phenyl]tetradecanamide
CID 54791960
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride (CID 120609510) is 3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The InChIKey is FZLJZZUJACMAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c22-19-10-3-2-7-16(19)11-12-20(25)23-18-9-6-8-17(15-18)21(26)24-13-4-1-5-14-24;/h2-3,6-10,15H,1,4-5,11-14,22H2,(H,23,25);1H.
What are the key properties of 3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120609510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).