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

C15H21BrN2O — CID 17250227

IUPAC2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H21BrN2O/c1-2-18-9-7-14(8-10-18)17-15(19)11-12-3-5-13(16)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,17,19)
InChIKeyNAVVAULOUFFLFJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.59
Rot. Bonds4

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

2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 17250227) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID17250227
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H21BrN2O/c1-2-18-9-7-14(8-10-18)17-15(19)11-12-3-5-13(16)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,17,19)
InChIKeyNAVVAULOUFFLFJ-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.59
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-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide (CID 17250227) is 2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is NAVVAULOUFFLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-18-9-7-14(8-10-18)17-15(19)11-12-3-5-13(16)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,17,19).
What are the key properties of 2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide?
2-(4-bromophenyl)-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 325.25 g/mol, XLogP of 2.59, 4 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-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 17250227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).