3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride

C19H22ClFN4O2 — CID 119422157

IUPAC3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C19H21FN4O2.ClH/c20-14-7-1-3-9-16(14)23-19(26)24-11-5-6-13(12-24)18(25)22-17-10-4-2-8-15(17)21;/h1-4,7-10,13H,5-6,11-12,21H2,(H,22,25)(H,23,26);1H
InChIKeyGOIOPMHXJDCWDA-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.71
Rot. Bonds3

About 3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride

3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 119422157) has the molecular formula C19H22ClFN4O2 and a molecular weight of 392.86 g/mol. Its IUPAC name is 3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
PubChem CID119422157
Molecular FormulaC19H22ClFN4O2
Molecular Weight392.86 g/mol
Exact Mass392.14
IUPAC Name3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C19H21FN4O2.ClH/c20-14-7-1-3-9-16(14)23-19(26)24-11-5-6-13(12-24)18(25)22-17-10-4-2-8-15(17)21;/h1-4,7-10,13H,5-6,11-12,21H2,(H,22,25)(H,23,26);1H
InChIKeyGOIOPMHXJDCWDA-UHFFFAOYSA-N
XLogP3.71
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;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-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119422273
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119614252
3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119439381
3-N-(2-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921211
3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid
CID 119350889
N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119422003
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
4-[[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353294

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride (CID 119422157) is 3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride is Cl.Nc1ccccc1NC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of 3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is GOIOPMHXJDCWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2.ClH/c20-14-7-1-3-9-16(14)23-19(26)24-11-5-6-13(12-24)18(25)22-17-10-4-2-8-15(17)21;/h1-4,7-10,13H,5-6,11-12,21H2,(H,22,25)(H,23,26);1H.
What are the key properties of 3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride?
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 392.86 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119422157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).