(2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

C26H28N4O3 — CID 26402772

About (2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

(2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (PubChem CID 26402772) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is (2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
• PubChem CID: 26402772
• Molecular Formula: C26H28N4O3
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.22
• IUPAC Name: (2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
• SMILES: CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2cc3ccccc3o2)CC1)c1ccccc1
• InChI: InChI=1S/C26H28N4O3/c1-32-25(19-7-3-2-4-8-19)26(31)28-24-11-14-27-30(24)21-12-15-29(16-13-21)18-22-17-20-9-5-6-10-23(20)33-22/h2-11,14,17,21,25H,12-13,15-16,18H2,1H3,(H,28,31)/t25-/m1/s1
• InChIKey: QXDMHJDPIKKWSW-RUZDIDTESA-N
• XLogP: 4.79
• TPSA: 72.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?

The IUPAC name of (2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (CID 26402772) is (2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.

What is the SMILES notation for (2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?

The canonical SMILES for (2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2cc3ccccc3o2)CC1)c1ccccc1.

What is the InChIKey of (2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?

The InChIKey is QXDMHJDPIKKWSW-RUZDIDTESA-N. The full InChI is InChI=1S/C26H28N4O3/c1-32-25(19-7-3-2-4-8-19)26(31)28-24-11-14-27-30(24)21-12-15-29(16-13-21)18-22-17-20-9-5-6-10-23(20)33-22/h2-11,14,17,21,25H,12-13,15-16,18H2,1H3,(H,28,31)/t25-/m1/s1.

What are the key properties of (2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?

(2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 444.54 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 26402772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).