2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide

C16H23BrN2O — CID 9264585

IUPAC2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H23BrN2O/c1-2-9-19-10-7-15(8-11-19)18-16(20)12-13-3-5-14(17)6-4-13/h3-6,15H,2,7-12H2,1H3,(H,18,20)
InChIKeyRQBHLZIRFGSQKR-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.98
Rot. Bonds5

About 2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide

2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 9264585) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID9264585
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H23BrN2O/c1-2-9-19-10-7-15(8-11-19)18-16(20)12-13-3-5-14(17)6-4-13/h3-6,15H,2,7-12H2,1H3,(H,18,20)
InChIKeyRQBHLZIRFGSQKR-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide (CID 9264585) is 2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is RQBHLZIRFGSQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-2-9-19-10-7-15(8-11-19)18-16(20)12-13-3-5-14(17)6-4-13/h3-6,15H,2,7-12H2,1H3,(H,18,20).
What are the key properties of 2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide?
2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 339.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 9264585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).