3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride

C16H24ClN3O2 — CID 120599313

IUPAC3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2cccc(C(=O)N(C)C)c2)CCN1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11-9-14(7-8-17-11)18-15(20)12-5-4-6-13(10-12)16(21)19(2)3;/h4-6,10-11,14,17H,7-9H2,1-3H3,(H,18,20);1H
InChIKeyYZEZOKGAYVZYDD-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.68
Rot. Bonds3

About 3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride

3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride (PubChem CID 120599313) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
PubChem CID120599313
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2cccc(C(=O)N(C)C)c2)CCN1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11-9-14(7-8-17-11)18-15(20)12-5-4-6-13(10-12)16(21)19(2)3;/h4-6,10-11,14,17H,7-9H2,1-3H3,(H,18,20);1H
InChIKeyYZEZOKGAYVZYDD-UHFFFAOYSA-N
XLogP1.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120598473
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide
CID 120598273
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120601332
N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 106995338
N-(2-methylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 120601523
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 120601515
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride (CID 120599313) is 3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride is CC1CC(NC(=O)c2cccc(C(=O)N(C)C)c2)CCN1.Cl.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is YZEZOKGAYVZYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-11-9-14(7-8-17-11)18-15(20)12-5-4-6-13(10-12)16(21)19(2)3;/h4-6,10-11,14,17H,7-9H2,1-3H3,(H,18,20);1H.
What are the key properties of 3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride?
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 120599313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).