1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride

C17H26ClN3O2 — CID 119502630

IUPAC1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1(C)CCCN(C(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-17(16(22)19-11-10-18-2)9-6-12-20(13-17)15(21)14-7-4-3-5-8-14;/h3-5,7-8,18H,6,9-13H2,1-2H3,(H,19,22);1H
InChIKeyOISFHGGANYADTQ-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.69
Rot. Bonds5

About 1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride

1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119502630) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119502630
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1(C)CCCN(C(=O)c2ccccc2)C1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-17(16(22)19-11-10-18-2)9-6-12-20(13-17)15(21)14-7-4-3-5-8-14;/h3-5,7-8,18H,6,9-13H2,1-2H3,(H,19,22);1H
InChIKeyOISFHGGANYADTQ-UHFFFAOYSA-N
XLogP1.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-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

N-[2-(4-aminophenyl)ethyl]-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119548818
N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119628747
N-[2-(4-aminophenyl)ethyl]-1-benzoyl-3-methylpiperidine-3-carboxamide
CID 119548819
1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide
CID 111539458
1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119557726
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
[3-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-phenylmethanone;hydrochloride
CID 119397317
1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide
CID 46943736
(2S)-2-[(1-benzoyl-3-methylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614834
1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119452421

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119502630) is 1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride is CNCCNC(=O)C1(C)CCCN(C(=O)c2ccccc2)C1.Cl.
What is the InChIKey of 1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is OISFHGGANYADTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-17(16(22)19-11-10-18-2)9-6-12-20(13-17)15(21)14-7-4-3-5-8-14;/h3-5,7-8,18H,6,9-13H2,1-2H3,(H,19,22);1H.
What are the key properties of 1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride?
1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119502630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).