2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide

C25H32BrN3O — CID 24739886

IUPAC2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
InChIKeyYPIYIPYCTOJYAU-UHFFFAOYSA-N
MW470.46 g/mol
LogP4.18
Rot. Bonds6

About 2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide

2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide (PubChem CID 24739886) has the molecular formula C25H32BrN3O and a molecular weight of 470.46 g/mol. Its IUPAC name is 2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide
PubChem CID24739886
Molecular FormulaC25H32BrN3O
Molecular Weight470.46 g/mol
Exact Mass469.17
IUPAC Name2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30)
InChIKeyYPIYIPYCTOJYAU-UHFFFAOYSA-N
XLogP4.18
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide (CID 24739886) is 2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide is NC(=O)CN1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1.
What is the InChIKey of 2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide?
The InChIKey is YPIYIPYCTOJYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32BrN3O/c26-23-9-7-20(8-10-23)17-28-15-11-22(12-16-28)25(21-5-2-1-3-6-21)13-4-14-29(19-25)18-24(27)30/h1-3,5-10,22H,4,11-19H2,(H2,27,30).
What are the key properties of 2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide?
2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide has a molecular weight of 470.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]acetamide is sourced from PubChem (CID 24739886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).