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

C19H23ClN4O2 — CID 119422273

IUPAC3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H22N4O2.ClH/c20-16-10-4-5-11-17(16)22-18(24)14-7-6-12-23(13-14)19(25)21-15-8-2-1-3-9-15;/h1-5,8-11,14H,6-7,12-13,20H2,(H,21,25)(H,22,24);1H
InChIKeyAGICOIGROHEUBO-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.57
Rot. Bonds3

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

3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 119422273) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
PubChem CID119422273
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H22N4O2.ClH/c20-16-10-4-5-11-17(16)22-18(24)14-7-6-12-23(13-14)19(25)21-15-8-2-1-3-9-15;/h1-5,8-11,14H,6-7,12-13,20H2,(H,21,25)(H,22,24);1H
InChIKeyAGICOIGROHEUBO-UHFFFAOYSA-N
XLogP3.57
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119422003
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
3-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 42925498
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride (CID 119422273) is 3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride is Cl.Nc1ccccc1NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is AGICOIGROHEUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.ClH/c20-16-10-4-5-11-17(16)22-18(24)14-7-6-12-23(13-14)19(25)21-15-8-2-1-3-9-15;/h1-5,8-11,14H,6-7,12-13,20H2,(H,21,25)(H,22,24);1H.
What are the key properties of 3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride?
3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 3.57, 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-phenylpiperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119422273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).