tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate

C27H36N4O3 — CID 67177226

About tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate

tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate (PubChem CID 67177226) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate
• PubChem CID: 67177226
• Molecular Formula: C27H36N4O3
• Molecular Weight: 464.61 g/mol
• Exact Mass: 464.28
• IUPAC Name: tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate
• SMILES: CN1CCC(n2c(=O)[nH]c3ccccc32)CC1CCN(Cc1ccccc1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C27H36N4O3/c1-27(2,3)34-26(33)30(19-20-10-6-5-7-11-20)17-15-21-18-22(14-16-29(21)4)31-24-13-9-8-12-23(24)28-25(31)32/h5-13,21-22H,14-19H2,1-4H3,(H,28,32)
• InChIKey: FZYXOVPHWQFRLE-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 70.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.61
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate?

The IUPAC name of tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate (CID 67177226) is tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate is CN1CCC(n2c(=O)[nH]c3ccccc32)CC1CCN(Cc1ccccc1)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate?

The InChIKey is FZYXOVPHWQFRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-27(2,3)34-26(33)30(19-20-10-6-5-7-11-20)17-15-21-18-22(14-16-29(21)4)31-24-13-9-8-12-23(24)28-25(31)32/h5-13,21-22H,14-19H2,1-4H3,(H,28,32).

What are the key properties of tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate?

tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate has a molecular weight of 464.61 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-benzyl-N-[2-[1-methyl-4-(2-oxo-3H-benzimidazol-1-yl)piperidin-2-yl]ethyl]carbamate is sourced from PubChem (CID 67177226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).