N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide

C21H29N2O2+ — CID 8623105

About N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 8623105) has the molecular formula C21H29N2O2+ and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
• PubChem CID: 8623105
• Molecular Formula: C21H29N2O2+
• Molecular Weight: 341.48 g/mol
• Exact Mass: 341.22
• IUPAC Name: N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
• SMILES: COc1ccc2cc(CN(C)C(=O)C[NH+]3CCCC[C@H]3C)ccc2c1
• InChI: InChI=1S/C21H28N2O2/c1-16-6-4-5-11-23(16)15-21(24)22(2)14-17-7-8-19-13-20(25-3)10-9-18(19)12-17/h7-10,12-13,16H,4-6,11,14-15H2,1-3H3/p+1/t16-/m1/s1
• InChIKey: HDDJVUSYJUDSSX-MRXNPFEDSA-O
• XLogP: 2.26
• TPSA: 33.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.48
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?

The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (CID 8623105) is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.

What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?

The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is COc1ccc2cc(CN(C)C(=O)C[NH+]3CCCC[C@H]3C)ccc2c1.

What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?

The InChIKey is HDDJVUSYJUDSSX-MRXNPFEDSA-O. The full InChI is InChI=1S/C21H28N2O2/c1-16-6-4-5-11-23(16)15-21(24)22(2)14-17-7-8-19-13-20(25-3)10-9-18(19)12-17/h7-10,12-13,16H,4-6,11,14-15H2,1-3H3/p+1/t16-/m1/s1.

What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 341.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8623105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).