N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride

C19H27Cl2N3O2S — CID 120890642

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride (PubChem CID 120890642) has the molecular formula C19H27Cl2N3O2S and a molecular weight of 432.42 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
• PubChem CID: 120890642
• Molecular Formula: C19H27Cl2N3O2S
• Molecular Weight: 432.42 g/mol
• Exact Mass: 431.12
• IUPAC Name: N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
• SMILES: COCC1(CNC(=O)c2cccc(-c3csc(C)n3)c2)CCNCC1.Cl.Cl
• InChI: InChI=1S/C19H25N3O2S.2ClH/c1-14-22-17(11-25-14)15-4-3-5-16(10-15)18(23)21-12-19(13-24-2)6-8-20-9-7-19;;/h3-5,10-11,20H,6-9,12-13H2,1-2H3,(H,21,23);2*1H
• InChIKey: ONIKCNMVHSLOIG-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.42
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride?

The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride (CID 120890642) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride.

What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride?

The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride is COCC1(CNC(=O)c2cccc(-c3csc(C)n3)c2)CCNCC1.Cl.Cl.

What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride?

The InChIKey is ONIKCNMVHSLOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S.2ClH/c1-14-22-17(11-25-14)15-4-3-5-16(10-15)18(23)21-12-19(13-24-2)6-8-20-9-7-19;;/h3-5,10-11,20H,6-9,12-13H2,1-2H3,(H,21,23);2*1H.

What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride?

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride has a molecular weight of 432.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride is sourced from PubChem (CID 120890642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).