(2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide

C33H38FN7O3 — CID 98090888

About (2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide

(2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide (PubChem CID 98090888) has the molecular formula C33H38FN7O3 and a molecular weight of 599.71 g/mol. Its IUPAC name is (2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: (2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide
• PubChem CID: 98090888
• Molecular Formula: C33H38FN7O3
• Molecular Weight: 599.71 g/mol
• Exact Mass: 599.30
• IUPAC Name: (2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(C3CCN(Cc4ccccc4)CC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1
• InChI: InChI=1S/C33H38FN7O3/c1-23-11-16-29(44-23)32-36-38-40(37-32)22-30(42)41(28-17-19-39(20-18-28)21-24-7-3-2-4-8-24)31(25-12-14-26(34)15-13-25)33(43)35-27-9-5-6-10-27/h2-4,7-8,11-16,27-28,31H,5-6,9-10,17-22H2,1H3,(H,35,43)/t31-/m1/s1
• InChIKey: VNGWSKOSFQLCIY-WJOKGBTCSA-N
• XLogP: 4.67
• TPSA: 109.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.71
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide?

The IUPAC name of (2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide (CID 98090888) is (2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide.

What is the SMILES notation for (2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide?

The canonical SMILES for (2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide is Cc1ccc(-c2nnn(CC(=O)N(C3CCN(Cc4ccccc4)CC3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1.

What is the InChIKey of (2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide?

The InChIKey is VNGWSKOSFQLCIY-WJOKGBTCSA-N. The full InChI is InChI=1S/C33H38FN7O3/c1-23-11-16-29(44-23)32-36-38-40(37-32)22-30(42)41(28-17-19-39(20-18-28)21-24-7-3-2-4-8-24)31(25-12-14-26(34)15-13-25)33(43)35-27-9-5-6-10-27/h2-4,7-8,11-16,27-28,31H,5-6,9-10,17-22H2,1H3,(H,35,43)/t31-/m1/s1.

What are the key properties of (2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide?

(2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide has a molecular weight of 599.71 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 98090888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).