2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide

C21H26N2O2 — CID 119463848

IUPAC2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1ccccc1COc1ccccc1C(=O)NCC1CCCNC1
InChIInChI=1S/C21H26N2O2/c1-16-7-2-3-9-18(16)15-25-20-11-5-4-10-19(20)21(24)23-14-17-8-6-12-22-13-17/h2-5,7,9-11,17,22H,6,8,12-15H2,1H3,(H,23,24)
InChIKeyWRDPUAWDSWGFMV-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.30
Rot. Bonds6

About 2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide

2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119463848) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119463848
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1ccccc1COc1ccccc1C(=O)NCC1CCCNC1
InChIInChI=1S/C21H26N2O2/c1-16-7-2-3-9-18(16)15-25-20-11-5-4-10-19(20)21(24)23-14-17-8-6-12-22-13-17/h2-5,7,9-11,17,22H,6,8,12-15H2,1H3,(H,23,24)
InChIKeyWRDPUAWDSWGFMV-UHFFFAOYSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453556
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
2-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 60725298
N-(piperidin-3-ylmethyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 119464217
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462968
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
6-methyl-4-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 103805930
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
CID 119464314
2-fluoro-6-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 65433806

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide (CID 119463848) is 2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide is Cc1ccccc1COc1ccccc1C(=O)NCC1CCCNC1.
What is the InChIKey of 2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is WRDPUAWDSWGFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-7-2-3-9-18(16)15-25-20-11-5-4-10-19(20)21(24)23-14-17-8-6-12-22-13-17/h2-5,7,9-11,17,22H,6,8,12-15H2,1H3,(H,23,24).
What are the key properties of 2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide?
2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119463848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).