3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide

C21H26N2O2 — CID 120601738

IUPAC3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1cccc(COc2cccc(C(=O)NC3CCNC(C)C3)c2)c1
InChIInChI=1S/C21H26N2O2/c1-15-5-3-6-17(11-15)14-25-20-8-4-7-18(13-20)21(24)23-19-9-10-22-16(2)12-19/h3-8,11,13,16,19,22H,9-10,12,14H2,1-2H3,(H,23,24)
InChIKeyDULBKHDJALPSBI-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.44
Rot. Bonds5

About 3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide

3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 120601738) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID120601738
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
SMILESCc1cccc(COc2cccc(C(=O)NC3CCNC(C)C3)c2)c1
InChIInChI=1S/C21H26N2O2/c1-15-5-3-6-17(11-15)14-25-20-8-4-7-18(13-20)21(24)23-19-9-10-22-16(2)12-19/h3-8,11,13,16,19,22H,9-10,12,14H2,1-2H3,(H,23,24)
InChIKeyDULBKHDJALPSBI-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119458703
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 120599937
5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
CID 120600867
3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449796
3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39144729
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide
CID 60612242
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide (CID 120601738) is 3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide is Cc1cccc(COc2cccc(C(=O)NC3CCNC(C)C3)c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is DULBKHDJALPSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-5-3-6-17(11-15)14-25-20-8-4-7-18(13-20)21(24)23-19-9-10-22-16(2)12-19/h3-8,11,13,16,19,22H,9-10,12,14H2,1-2H3,(H,23,24).
What are the key properties of 3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide?
3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120601738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).