5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one

C23H24N6O3 — CID 71516677

About 5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one

5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one (PubChem CID 71516677) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one.

Molecular Properties

• Compound Name: 5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one
• PubChem CID: 71516677
• Molecular Formula: C23H24N6O3
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.19
• IUPAC Name: 5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one
• SMILES: O=C1OCc2cc(CCC3CCN(C(=O)Cc4ccc(-n5cnnn5)nc4)CC3)ccc21
• InChI: InChI=1S/C23H24N6O3/c30-22(12-18-4-6-21(24-13-18)29-15-25-26-27-29)28-9-7-16(8-10-28)1-2-17-3-5-20-19(11-17)14-32-23(20)31/h3-6,11,13,15-16H,1-2,7-10,12,14H2
• InChIKey: GEROKZRQGOYQDR-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 103.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one?

The IUPAC name of 5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one (CID 71516677) is 5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one.

What is the SMILES notation for 5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one?

The canonical SMILES for 5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one is O=C1OCc2cc(CCC3CCN(C(=O)Cc4ccc(-n5cnnn5)nc4)CC3)ccc21.

What is the InChIKey of 5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one?

The InChIKey is GEROKZRQGOYQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c30-22(12-18-4-6-21(24-13-18)29-15-25-26-27-29)28-9-7-16(8-10-28)1-2-17-3-5-20-19(11-17)14-32-23(20)31/h3-6,11,13,15-16H,1-2,7-10,12,14H2.

What are the key properties of 5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one?

5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one has a molecular weight of 432.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[1-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperidin-4-yl]ethyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 71516677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).