N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide

C22H35N3O3 — CID 56746288

About N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide

N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide (PubChem CID 56746288) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide
• PubChem CID: 56746288
• Molecular Formula: C22H35N3O3
• Molecular Weight: 389.54 g/mol
• Exact Mass: 389.27
• IUPAC Name: N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide
• SMILES: CC(C)c1ccc(CN2CCCC(O)(CNCC(=O)NC(C)(C)C)C2=O)cc1
• InChI: InChI=1S/C22H35N3O3/c1-16(2)18-9-7-17(8-10-18)14-25-12-6-11-22(28,20(25)27)15-23-13-19(26)24-21(3,4)5/h7-10,16,23,28H,6,11-15H2,1-5H3,(H,24,26)
• InChIKey: HCXLUXDUKZOODO-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 81.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.54
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide?

The IUPAC name of N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide (CID 56746288) is N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide.

What is the SMILES notation for N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide?

The canonical SMILES for N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide is CC(C)c1ccc(CN2CCCC(O)(CNCC(=O)NC(C)(C)C)C2=O)cc1.

What is the InChIKey of N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide?

The InChIKey is HCXLUXDUKZOODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-16(2)18-9-7-17(8-10-18)14-25-12-6-11-22(28,20(25)27)15-23-13-19(26)24-21(3,4)5/h7-10,16,23,28H,6,11-15H2,1-5H3,(H,24,26).

What are the key properties of N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide?

N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide has a molecular weight of 389.54 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methylamino]acetamide is sourced from PubChem (CID 56746288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).