N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide

C22H26N2O4 — CID 109052372

IUPACN-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)N3CCC(C)CC3)c2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-15-9-11-24(12-10-15)22(26)17-6-4-5-16(13-17)21(25)23-18-7-8-19(27-2)20(14-18)28-3/h4-8,13-15H,9-12H2,1-3H3,(H,23,25)
InChIKeyAGXHVQNCGGDAMV-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.83
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide

N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide (PubChem CID 109052372) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
PubChem CID109052372
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(=O)N3CCC(C)CC3)c2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-15-9-11-24(12-10-15)22(26)17-6-4-5-16(13-17)21(25)23-18-7-8-19(27-2)20(14-18)28-3/h4-8,13-15H,9-12H2,1-3H3,(H,23,25)
InChIKeyAGXHVQNCGGDAMV-UHFFFAOYSA-N
XLogP3.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103257
N-(3,5-dimethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052336
3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109052369
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
N-(3,4-dimethoxyphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056485
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052385
3-iodo-4-methoxy-N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 43886905
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942812
methyl 3-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 28637844
N-(3-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103248

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide (CID 109052372) is N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide is COc1ccc(NC(=O)c2cccc(C(=O)N3CCC(C)CC3)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide?
The InChIKey is AGXHVQNCGGDAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-9-11-24(12-10-15)22(26)17-6-4-5-16(13-17)21(25)23-18-7-8-19(27-2)20(14-18)28-3/h4-8,13-15H,9-12H2,1-3H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide?
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109052372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).