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

C27H43BrN2O3 — CID 23030061

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

N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-methoxyacetamide (PubChem CID 23030061) has the molecular formula C27H43BrN2O3 and a molecular weight of 523.56 g/mol. Its IUPAC name is N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-methoxyacetamide
• PubChem CID: 23030061
• Molecular Formula: C27H43BrN2O3
• Molecular Weight: 523.56 g/mol
• Exact Mass: 522.25
• IUPAC Name: N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-methoxyacetamide
• SMILES: COCC(=O)NC1CCC(CCCN2CCC(Cc3cc(OC(C)C)ccc3Br)CC2)CC1
• InChI: InChI=1S/C27H43BrN2O3/c1-20(2)33-25-10-11-26(28)23(18-25)17-22-12-15-30(16-13-22)14-4-5-21-6-8-24(9-7-21)29-27(31)19-32-3/h10-11,18,20-22,24H,4-9,12-17,19H2,1-3H3,(H,29,31)
• InChIKey: FWONHAUTSQIIKV-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.56
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
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-methoxyacetamide?

The IUPAC name of N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-methoxyacetamide (CID 23030061) is N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-methoxyacetamide.

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

The canonical SMILES for N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-methoxyacetamide is COCC(=O)NC1CCC(CCCN2CCC(Cc3cc(OC(C)C)ccc3Br)CC2)CC1.

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

The InChIKey is FWONHAUTSQIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43BrN2O3/c1-20(2)33-25-10-11-26(28)23(18-25)17-22-12-15-30(16-13-22)14-4-5-21-6-8-24(9-7-21)29-27(31)19-32-3/h10-11,18,20-22,24H,4-9,12-17,19H2,1-3H3,(H,29,31).

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

N-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-methoxyacetamide has a molecular weight of 523.56 g/mol, XLogP of 5.59, 11 rotatable bonds, 1 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-methoxyacetamide is sourced from PubChem (CID 23030061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).