4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride

C20H33Cl2N3O2 — CID 120600958

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
SMILESCC1CC(NC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)CCN1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-14-10-19(8-9-21-14)22-20(24)18-6-4-17(5-7-18)13-23-11-15(2)25-16(3)12-23;;/h4-7,14-16,19,21H,8-13H2,1-3H3,(H,22,24);2*1H
InChIKeyXMHKSEIKODROPU-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.01
Rot. Bonds4

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride (PubChem CID 120600958) has the molecular formula C20H33Cl2N3O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
PubChem CID120600958
Molecular FormulaC20H33Cl2N3O2
Molecular Weight418.41 g/mol
Exact Mass417.19
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
SMILESCC1CC(NC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)CCN1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-14-10-19(8-9-21-14)22-20(24)18-6-4-17(5-7-18)13-23-11-15(2)25-16(3)12-23;;/h4-7,14-16,19,21H,8-13H2,1-3H3,(H,22,24);2*1H
InChIKeyXMHKSEIKODROPU-UHFFFAOYSA-N
XLogP3.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide
CID 119387921
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 47027087
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 120601515
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557065
4-[[methyl(2-methylpropanoyl)amino]methyl]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601242
4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598414
2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120599363
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 55623953

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride (CID 120600958) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride is CC1CC(NC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)CCN1.Cl.Cl.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride?
The InChIKey is XMHKSEIKODROPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.2ClH/c1-14-10-19(8-9-21-14)22-20(24)18-6-4-17(5-7-18)13-23-11-15(2)25-16(3)12-23;;/h4-7,14-16,19,21H,8-13H2,1-3H3,(H,22,24);2*1H.
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride has a molecular weight of 418.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride is sourced from PubChem (CID 120600958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).