N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride

C16H25ClN2O2 — CID 171361829

IUPACN-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride
SMILESCOCCNC(=O)c1ccc(C)c(C2CCNCC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-3-4-14(16(19)18-9-10-20-2)11-15(12)13-5-7-17-8-6-13;/h3-4,11,13,17H,5-10H2,1-2H3,(H,18,19);1H
InChIKeyLYRSNEQAMQJOHX-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.26
Rot. Bonds5

About N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride

N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 171361829) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride
PubChem CID171361829
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride
SMILESCOCCNC(=O)c1ccc(C)c(C2CCNCC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-3-4-14(16(19)18-9-10-20-2)11-15(12)13-5-7-17-8-6-13;/h3-4,11,13,17H,5-10H2,1-2H3,(H,18,19);1H
InChIKeyLYRSNEQAMQJOHX-UHFFFAOYSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-piperidin-4-yl-4-(trifluoromethyl)benzamide
CID 171361782
N-(2-methoxyethyl)-5-piperidin-4-ylnaphthalene-2-carboxamide
CID 171396920
4-methyl-N-(oxolan-3-yl)-3-piperidin-4-ylbenzamide;hydrochloride
CID 171361833
2-fluoro-N-(2-methoxyethyl)-6-methyl-4-piperidin-4-ylbenzamide
CID 171365222
N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
CID 169452670
N-(2-methoxyethyl)-5-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 171393402
4-methyl-3-pyrrolidin-3-ylbenzoic acid
CID 170156424
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588
3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide
CID 107728729
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452677
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride (CID 171361829) is N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride is COCCNC(=O)c1ccc(C)c(C2CCNCC2)c1.Cl.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is LYRSNEQAMQJOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12-3-4-14(16(19)18-9-10-20-2)11-15(12)13-5-7-17-8-6-13;/h3-4,11,13,17H,5-10H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride?
N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-3-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 171361829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).