N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide

C21H26N2O3 — CID 78809424

IUPACN-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
SMILESCN1CCC(NC(=O)c2ccccc2OCCOc2ccccc2)CC1
InChIInChI=1S/C21H26N2O3/c1-23-13-11-17(12-14-23)22-21(24)19-9-5-6-10-20(19)26-16-15-25-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,22,24)
InChIKeyYRHKRFVOAWUHDF-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.97
Rot. Bonds7

About N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide

N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide (PubChem CID 78809424) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
PubChem CID78809424
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
SMILESCN1CCC(NC(=O)c2ccccc2OCCOc2ccccc2)CC1
InChIInChI=1S/C21H26N2O3/c1-23-13-11-17(12-14-23)22-21(24)19-9-5-6-10-20(19)26-16-15-25-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,22,24)
InChIKeyYRHKRFVOAWUHDF-UHFFFAOYSA-N
XLogP2.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
2-[(2-bromophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 55857067
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271179
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide
CID 3220910
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 4215187
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
2-phenoxyethyl 1-methylpiperidine-4-carboxylate
CID 121413233
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119459167

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide (CID 78809424) is N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide is CN1CCC(NC(=O)c2ccccc2OCCOc2ccccc2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide?
The InChIKey is YRHKRFVOAWUHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-23-13-11-17(12-14-23)22-21(24)19-9-5-6-10-20(19)26-16-15-25-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,22,24).
What are the key properties of N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide?
N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 78809424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).