N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide

C23H25N3O5 — CID 163380790

About N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide

N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380790) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide
• PubChem CID: 163380790
• Molecular Formula: C23H25N3O5
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.18
• IUPAC Name: N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide
• SMILES: Cc1ccc(COc2ccc3oc(C)c(C(=O)NC4(CO)CCCNC4=O)c3c2)cn1
• InChI: InChI=1S/C23H25N3O5/c1-14-4-5-16(11-25-14)12-30-17-6-7-19-18(10-17)20(15(2)31-19)21(28)26-23(13-27)8-3-9-24-22(23)29/h4-7,10-11,27H,3,8-9,12-13H2,1-2H3,(H,24,29)(H,26,28)
• InChIKey: ZFCYXFKYLOYJNA-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 113.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide?

The IUPAC name of N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide (CID 163380790) is N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide.

What is the SMILES notation for N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide?

The canonical SMILES for N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide is Cc1ccc(COc2ccc3oc(C)c(C(=O)NC4(CO)CCCNC4=O)c3c2)cn1.

What is the InChIKey of N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide?

The InChIKey is ZFCYXFKYLOYJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-14-4-5-16(11-25-14)12-30-17-6-7-19-18(10-17)20(15(2)31-19)21(28)26-23(13-27)8-3-9-24-22(23)29/h4-7,10-11,27H,3,8-9,12-13H2,1-2H3,(H,24,29)(H,26,28).

What are the key properties of N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide?

N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(hydroxymethyl)-2-oxopiperidin-3-yl]-2-methyl-5-[(6-methyl-3-pyridinyl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).