2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide

C20H24ClN3O2 — CID 563194

IUPAC2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-26-19-8-7-17(21)13-18(19)22-20(25)15-24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)
InChIKeyIFUKBNALRSZIOJ-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.10
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 563194) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID563194
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-26-19-8-7-17(21)13-18(19)22-20(25)15-24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)
InChIKeyIFUKBNALRSZIOJ-UHFFFAOYSA-N
XLogP3.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 563194) is 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is IFUKBNALRSZIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-26-19-8-7-17(21)13-18(19)22-20(25)15-24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,22,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 373.88 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 563194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).