N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride

C17H27ClN2O2 — CID 120600797

IUPACN-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
SMILESCC(C)COc1cccc(C(=O)NC2CCNC(C)C2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(2)11-21-16-6-4-5-14(10-16)17(20)19-15-7-8-18-13(3)9-15;/h4-6,10,12-13,15,18H,7-9,11H2,1-3H3,(H,19,20);1H
InChIKeyBZWUMNLKEDFBEA-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.01
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride

N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride (PubChem CID 120600797) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
PubChem CID120600797
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
SMILESCC(C)COc1cccc(C(=O)NC2CCNC(C)C2)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(2)11-21-16-6-4-5-14(10-16)17(20)19-15-7-8-18-13(3)9-15;/h4-6,10,12-13,15,18H,7-9,11H2,1-3H3,(H,19,20);1H
InChIKeyBZWUMNLKEDFBEA-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide
CID 114550259
3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601738
N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 120599937
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598414
N-(2-adamantyl)-3-(2-methylpropoxy)benzamide
CID 893118
3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide
CID 120598880
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(2-methylpropoxy)benzamide
CID 114630870

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride (CID 120600797) is N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride is CC(C)COc1cccc(C(=O)NC2CCNC(C)C2)c1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride?
The InChIKey is BZWUMNLKEDFBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-12(2)11-21-16-6-4-5-14(10-16)17(20)19-15-7-8-18-13(3)9-15;/h4-6,10,12-13,15,18H,7-9,11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride is sourced from PubChem (CID 120600797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).