N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide

C21H24N2O3 — CID 109051991

IUPACN-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C21H24N2O3/c1-26-19-11-4-3-8-18(19)15-22-20(24)16-9-7-10-17(14-16)21(25)23-12-5-2-6-13-23/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,22,24)
InChIKeyCOXAWCMIOUQBDD-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.25
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide

N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide (PubChem CID 109051991) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
PubChem CID109051991
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C21H24N2O3/c1-26-19-11-4-3-8-18(19)15-22-20(24)16-9-7-10-17(14-16)21(25)23-12-5-2-6-13-23/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,22,24)
InChIKeyCOXAWCMIOUQBDD-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
3-(4-formylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109053757
3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872473
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109046451
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109056708
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872341
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109084938
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[(2-methoxyphenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517303

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide (CID 109051991) is N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide is COc1ccccc1CNC(=O)c1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide?
The InChIKey is COXAWCMIOUQBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-19-11-4-3-8-18(19)15-22-20(24)16-9-7-10-17(14-16)21(25)23-12-5-2-6-13-23/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,22,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide?
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109051991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).