2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide

C19H29N3O3 — CID 38056880

About 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 38056880) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide
• PubChem CID: 38056880
• Molecular Formula: C19H29N3O3
• Molecular Weight: 347.46 g/mol
• Exact Mass: 347.22
• IUPAC Name: 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide
• SMILES: CNC(=O)CN1CCC(NCc2cc3c(cc2OC)C[C@H](C)O3)CC1
• InChI: InChI=1S/C19H29N3O3/c1-13-8-14-9-17(24-3)15(10-18(14)25-13)11-21-16-4-6-22(7-5-16)12-19(23)20-2/h9-10,13,16,21H,4-8,11-12H2,1-3H3,(H,20,23)/t13-/m0/s1
• InChIKey: CQQCNDYRPVSYSG-ZDUSSCGKSA-N
• XLogP: 1.32
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.46
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide?

The IUPAC name of 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide (CID 38056880) is 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide.

What is the SMILES notation for 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide?

The canonical SMILES for 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NCc2cc3c(cc2OC)C[C@H](C)O3)CC1.

What is the InChIKey of 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide?

The InChIKey is CQQCNDYRPVSYSG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-8-14-9-17(24-3)15(10-18(14)25-13)11-21-16-4-6-22(7-5-16)12-19(23)20-2/h9-10,13,16,21H,4-8,11-12H2,1-3H3,(H,20,23)/t13-/m0/s1.

What are the key properties of 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide?

2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 347.46 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 38056880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).