N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide

C26H41BrN2O3 — CID 23029192

About N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide

N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide (PubChem CID 23029192) has the molecular formula C26H41BrN2O3 and a molecular weight of 509.53 g/mol. Its IUPAC name is N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide
• PubChem CID: 23029192
• Molecular Formula: C26H41BrN2O3
• Molecular Weight: 509.53 g/mol
• Exact Mass: 508.23
• IUPAC Name: N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide
• SMILES: CC(C)Oc1ccc(Br)c(CC2CCN(CCCC3CCC(NC(=O)CO)CC3)CC2)c1
• InChI: InChI=1S/C26H41BrN2O3/c1-19(2)32-24-9-10-25(27)22(17-24)16-21-11-14-29(15-12-21)13-3-4-20-5-7-23(8-6-20)28-26(31)18-30/h9-10,17,19-21,23,30H,3-8,11-16,18H2,1-2H3,(H,28,31)
• InChIKey: YYSCNTFZESHGOB-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 61.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.53
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide?

The IUPAC name of N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide (CID 23029192) is N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide.

What is the SMILES notation for N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide?

The canonical SMILES for N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide is CC(C)Oc1ccc(Br)c(CC2CCN(CCCC3CCC(NC(=O)CO)CC3)CC2)c1.

What is the InChIKey of N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide?

The InChIKey is YYSCNTFZESHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41BrN2O3/c1-19(2)32-24-9-10-25(27)22(17-24)16-21-11-14-29(15-12-21)13-3-4-20-5-7-23(8-6-20)28-26(31)18-30/h9-10,17,19-21,23,30H,3-8,11-16,18H2,1-2H3,(H,28,31).

What are the key properties of N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide?

N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide has a molecular weight of 509.53 g/mol, XLogP of 4.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide is sourced from PubChem (CID 23029192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).