N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide

C23H32N4O4S — CID 41046019

About N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide

N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 41046019) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
• PubChem CID: 41046019
• Molecular Formula: C23H32N4O4S
• Molecular Weight: 460.60 g/mol
• Exact Mass: 460.21
• IUPAC Name: N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
• SMILES: O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
• InChI: InChI=1S/C23H32N4O4S/c28-22(26(17-5-1-2-6-17)19-11-14-32(30,31)16-19)15-25-12-9-18(10-13-25)27-21-8-4-3-7-20(21)24-23(27)29/h3-4,7-8,17-19H,1-2,5-6,9-16H2,(H,24,29)/t19-/m1/s1
• InChIKey: DPPYBVUJWXZYQO-LJQANCHMSA-N
• XLogP: 1.92
• TPSA: 95.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.60
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?

The IUPAC name of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (CID 41046019) is N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.

What is the SMILES notation for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?

The canonical SMILES for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1.

What is the InChIKey of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?

The InChIKey is DPPYBVUJWXZYQO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H32N4O4S/c28-22(26(17-5-1-2-6-17)19-11-14-32(30,31)16-19)15-25-12-9-18(10-13-25)27-21-8-4-3-7-20(21)24-23(27)29/h3-4,7-8,17-19H,1-2,5-6,9-16H2,(H,24,29)/t19-/m1/s1.

What are the key properties of N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?

N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 460.60 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 41046019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).