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

C19H22BrN3O — CID 988160

IUPAC2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3O/c20-17-6-8-18(9-7-17)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)
InChIKeyYXOLQXALPKEGRI-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.21
Rot. Bonds5

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

2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide (PubChem CID 988160) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide
PubChem CID988160
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3O/c20-17-6-8-18(9-7-17)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)
InChIKeyYXOLQXALPKEGRI-UHFFFAOYSA-N
XLogP3.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide (CID 988160) is 2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide?
The InChIKey is YXOLQXALPKEGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c20-17-6-8-18(9-7-17)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide has a molecular weight of 388.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 988160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).