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

C26H41BrN2O3 — CID 23029192

IUPACN-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide
SMILESCC(C)Oc1ccc(Br)c(CC2CCN(CCCC3CCC(NC(=O)CO)CC3)CC2)c1
InChIInChI=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)
InChIKeyYYSCNTFZESHGOB-UHFFFAOYSA-N
MW509.53 g/mol
LogP4.94
Rot. Bonds10

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 NameN-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide
PubChem CID23029192
Molecular FormulaC26H41BrN2O3
Molecular Weight509.53 g/mol
Exact Mass508.23
IUPAC NameN-[4-[3-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]propyl]cyclohexyl]-2-hydroxyacetamide
SMILESCC(C)Oc1ccc(Br)c(CC2CCN(CCCC3CCC(NC(=O)CO)CC3)CC2)c1
InChIInChI=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)
InChIKeyYYSCNTFZESHGOB-UHFFFAOYSA-N
XLogP4.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.53
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).