N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C28H41N7O4 — CID 70688553

About N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 70688553) has the molecular formula C28H41N7O4 and a molecular weight of 539.68 g/mol. Its IUPAC name is N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
• PubChem CID: 70688553
• Molecular Formula: C28H41N7O4
• Molecular Weight: 539.68 g/mol
• Exact Mass: 539.32
• IUPAC Name: N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
• SMILES: NC(=O)CC[C@@H](NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)N1CCC(N2CCCCC2)CC1
• InChI: InChI=1S/C28H41N7O4/c29-25(36)9-8-23(26(37)33-16-10-20(11-17-33)32-14-4-1-5-15-32)31-27(38)34-18-12-21(13-19-34)35-24-7-3-2-6-22(24)30-28(35)39/h2-3,6-7,20-21,23H,1,4-5,8-19H2,(H2,29,36)(H,30,39)(H,31,38)/t23-/m1/s1
• InChIKey: SRWGCEBIRDSIDK-HSZRJFAPSA-N
• XLogP: 1.79
• TPSA: 136.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.68
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?

The IUPAC name of N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 70688553) is N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

What is the SMILES notation for N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?

The canonical SMILES for N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is NC(=O)CC[C@@H](NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)N1CCC(N2CCCCC2)CC1.

What is the InChIKey of N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?

The InChIKey is SRWGCEBIRDSIDK-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H41N7O4/c29-25(36)9-8-23(26(37)33-16-10-20(11-17-33)32-14-4-1-5-15-32)31-27(38)34-18-12-21(13-19-34)35-24-7-3-2-6-22(24)30-28(35)39/h2-3,6-7,20-21,23H,1,4-5,8-19H2,(H2,29,36)(H,30,39)(H,31,38)/t23-/m1/s1.

What are the key properties of N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?

N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 539.68 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-5-amino-1,5-dioxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 70688553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).