N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide

C34H38N6O3 — CID 66786086

About N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide

N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide (PubChem CID 66786086) has the molecular formula C34H38N6O3 and a molecular weight of 578.72 g/mol. Its IUPAC name is N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide
• PubChem CID: 66786086
• Molecular Formula: C34H38N6O3
• Molecular Weight: 578.72 g/mol
• Exact Mass: 578.30
• IUPAC Name: N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide
• SMILES: CC(=O)NCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5c(c4)CC(=O)N5)cc3)C2)nc2ccccc21
• InChI: InChI=1S/C34H38N6O3/c1-22(41)36-14-16-40-31-7-3-2-6-30(31)38-34(40)26-5-4-15-39(21-26)33(43)20-28(35)17-23-8-10-24(11-9-23)25-12-13-29-27(18-25)19-32(42)37-29/h2-3,6-13,18,26,28H,4-5,14-17,19-21,35H2,1H3,(H,36,41)(H,37,42)/t26-,28-/m1/s1
• InChIKey: VYPPZIBORZPIOK-IXCJQBJRSA-N
• XLogP: 4.00
• TPSA: 122.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.72
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide?

The IUPAC name of N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide (CID 66786086) is N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide.

What is the SMILES notation for N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide?

The canonical SMILES for N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide is CC(=O)NCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccc5c(c4)CC(=O)N5)cc3)C2)nc2ccccc21.

What is the InChIKey of N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide?

The InChIKey is VYPPZIBORZPIOK-IXCJQBJRSA-N. The full InChI is InChI=1S/C34H38N6O3/c1-22(41)36-14-16-40-31-7-3-2-6-30(31)38-34(40)26-5-4-15-39(21-26)33(43)20-28(35)17-23-8-10-24(11-9-23)25-12-13-29-27(18-25)19-32(42)37-29/h2-3,6-13,18,26,28H,4-5,14-17,19-21,35H2,1H3,(H,36,41)(H,37,42)/t26-,28-/m1/s1.

What are the key properties of N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide?

N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide has a molecular weight of 578.72 g/mol, XLogP of 4.00, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 66786086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).