4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride

C15H23ClN4O2 — CID 119422188

IUPAC4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2ccccc2N)CC1.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-18(2)15(21)19-9-7-11(8-10-19)14(20)17-13-6-4-3-5-12(13)16;/h3-6,11H,7-10,16H2,1-2H3,(H,17,20);1H
InChIKeyJEVMJWRSSUGALN-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.02
Rot. Bonds2

About 4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride

4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride (PubChem CID 119422188) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
PubChem CID119422188
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2ccccc2N)CC1.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-18(2)15(21)19-9-7-11(8-10-19)14(20)17-13-6-4-3-5-12(13)16;/h3-6,11H,7-10,16H2,1-2H3,(H,17,20);1H
InChIKeyJEVMJWRSSUGALN-UHFFFAOYSA-N
XLogP2.02
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119439439
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
1-[2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 119206700
4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55764236
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
4-N-(4-bromo-2-methylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56922800
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
3-N-(2-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921211
4-N-[cyclopropyl(phenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 47028583
N-(2-aminophenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119422130
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride (CID 119422188) is 4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride is CN(C)C(=O)N1CCC(C(=O)Nc2ccccc2N)CC1.Cl.
What is the InChIKey of 4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The InChIKey is JEVMJWRSSUGALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.ClH/c1-18(2)15(21)19-9-7-11(8-10-19)14(20)17-13-6-4-3-5-12(13)16;/h3-6,11H,7-10,16H2,1-2H3,(H,17,20);1H.
What are the key properties of 4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119422188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).