[1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid

C28H32N6O5 — CID 18391240

About [1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid

[1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid (PubChem CID 18391240) has the molecular formula C28H32N6O5 and a molecular weight of 532.60 g/mol. Its IUPAC name is [1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid
• PubChem CID: 18391240
• Molecular Formula: C28H32N6O5
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.24
• IUPAC Name: [1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid
• SMILES: CC(C)(NC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
• InChI: InChI=1S/C28H32N6O5/c1-28(2,32-27(38)39)25(36)30-22(15-17-16-29-20-8-4-3-7-19(17)20)24(35)33-13-11-18(12-14-33)34-23-10-6-5-9-21(23)31-26(34)37/h3-10,16,18,22,29,32H,11-15H2,1-2H3,(H,30,36)(H,31,37)(H,38,39)/t22-/m1/s1
• InChIKey: BZCYLJWBVBWTAU-JOCHJYFZSA-N
• XLogP: 2.75
• TPSA: 152.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid?

The IUPAC name of [1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid (CID 18391240) is [1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid.

What is the SMILES notation for [1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid?

The canonical SMILES for [1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid is CC(C)(NC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.

What is the InChIKey of [1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid?

The InChIKey is BZCYLJWBVBWTAU-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H32N6O5/c1-28(2,32-27(38)39)25(36)30-22(15-17-16-29-20-8-4-3-7-19(17)20)24(35)33-13-11-18(12-14-33)34-23-10-6-5-9-21(23)31-26(34)37/h3-10,16,18,22,29,32H,11-15H2,1-2H3,(H,30,36)(H,31,37)(H,38,39)/t22-/m1/s1.

What are the key properties of [1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid?

[1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid has a molecular weight of 532.60 g/mol, XLogP of 2.75, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 18391240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).