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

C17H27ClN4O2 — CID 119548200

IUPAC4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCN(C)C(=O)N1CCC(C(=O)NCCc2ccc(N)cc2)CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-20(2)17(23)21-11-8-14(9-12-21)16(22)19-10-7-13-3-5-15(18)6-4-13;/h3-6,14H,7-12,18H2,1-2H3,(H,19,22);1H
InChIKeyCXVUAHIMCDCFIP-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.74
Rot. Bonds4

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

4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride (PubChem CID 119548200) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
PubChem CID119548200
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCN(C)C(=O)N1CCC(C(=O)NCCc2ccc(N)cc2)CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-20(2)17(23)21-11-8-14(9-12-21)16(22)19-10-7-13-3-5-15(18)6-4-13;/h3-6,14H,7-12,18H2,1-2H3,(H,19,22);1H
InChIKeyCXVUAHIMCDCFIP-UHFFFAOYSA-N
XLogP1.74
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60610429
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
4-N-(2-methoxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 3543766
N-[2-(4-tert-butylphenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 46442102
N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 119549612
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
CID 60778061
4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 113466075
1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 110795075
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699
4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119422188
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
CID 71874985

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride (CID 119548200) is 4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride is CN(C)C(=O)N1CCC(C(=O)NCCc2ccc(N)cc2)CC1.Cl.
What is the InChIKey of 4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The InChIKey is CXVUAHIMCDCFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-20(2)17(23)21-11-8-14(9-12-21)16(22)19-10-7-13-3-5-15(18)6-4-13;/h3-6,14H,7-12,18H2,1-2H3,(H,19,22);1H.
What are the key properties of 4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-aminophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119548200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).