4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide

C16H23BrN2O2 — CID 16895556

IUPAC4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCCN1CCC(CNC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H23BrN2O2/c1-21-11-10-19-8-6-13(7-9-19)12-18-16(20)14-2-4-15(17)5-3-14/h2-5,13H,6-12H2,1H3,(H,18,20)
InChIKeyYCEAUUZCDWKGPT-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.54
Rot. Bonds6

About 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide

4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16895556) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16895556
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
SMILESCOCCN1CCC(CNC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H23BrN2O2/c1-21-11-10-19-8-6-13(7-9-19)12-18-16(20)14-2-4-15(17)5-3-14/h2-5,13H,6-12H2,1H3,(H,18,20)
InChIKeyYCEAUUZCDWKGPT-UHFFFAOYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide (CID 16895556) is 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide is COCCN1CCC(CNC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is YCEAUUZCDWKGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-21-11-10-19-8-6-13(7-9-19)12-18-16(20)14-2-4-15(17)5-3-14/h2-5,13H,6-12H2,1H3,(H,18,20).
What are the key properties of 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide?
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 355.28 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16895556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).