1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride

C22H28ClN3O2 — CID 119440143

IUPAC1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-2-23-16-19-10-6-7-11-20(19)24-21(26)17-12-14-25(15-13-17)22(27)18-8-4-3-5-9-18;/h3-11,17,23H,2,12-16H2,1H3,(H,24,26);1H
InChIKeyHUCWDYHQTSURCF-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.71
Rot. Bonds6

About 1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride

1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119440143) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119440143
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-2-23-16-19-10-6-7-11-20(19)24-21(26)17-12-14-25(15-13-17)22(27)18-8-4-3-5-9-18;/h3-11,17,23H,2,12-16H2,1H3,(H,24,26);1H
InChIKeyHUCWDYHQTSURCF-UHFFFAOYSA-N
XLogP3.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;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

4-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119439439
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide
CID 54938600
1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006609
1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119439295
1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
CID 17018975
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
1-benzoyl-N-(2-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 154737923
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119440143) is 1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride is CCNCc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1.Cl.
What is the InChIKey of 1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is HUCWDYHQTSURCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-2-23-16-19-10-6-7-11-20(19)24-21(26)17-12-14-25(15-13-17)22(27)18-8-4-3-5-9-18;/h3-11,17,23H,2,12-16H2,1H3,(H,24,26);1H.
What are the key properties of 1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride?
1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119440143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).