1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide

C22H33N3O3 — CID 56746367

About 1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide

1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 56746367) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 56746367
• Molecular Formula: C22H33N3O3
• Molecular Weight: 387.52 g/mol
• Exact Mass: 387.25
• IUPAC Name: 1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide
• SMILES: CC(C)c1ccc(CN2CCCC(O)(CN3CCC(C(N)=O)CC3)C2=O)cc1
• InChI: InChI=1S/C22H33N3O3/c1-16(2)18-6-4-17(5-7-18)14-25-11-3-10-22(28,21(25)27)15-24-12-8-19(9-13-24)20(23)26/h4-7,16,19,28H,3,8-15H2,1-2H3,(H2,23,26)
• InChIKey: OUQPITLTBMXRIL-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 86.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.52
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of 1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide (CID 56746367) is 1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide is CC(C)c1ccc(CN2CCCC(O)(CN3CCC(C(N)=O)CC3)C2=O)cc1.

What is the InChIKey of 1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide?

The InChIKey is OUQPITLTBMXRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16(2)18-6-4-17(5-7-18)14-25-11-3-10-22(28,21(25)27)15-24-12-8-19(9-13-24)20(23)26/h4-7,16,19,28H,3,8-15H2,1-2H3,(H2,23,26).

What are the key properties of 1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide?

1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-hydroxy-2-oxo-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56746367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).