N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide

C21H26ClN3O2 — CID 39302909

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26ClN3O2/c22-19-6-8-20(9-7-19)27-17-21(26)23-10-11-24-12-14-25(15-13-24)16-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,23,26)
InChIKeyAJIIKPBRJPXZMA-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.65
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 39302909) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID39302909
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26ClN3O2/c22-19-6-8-20(9-7-19)27-17-21(26)23-10-11-24-12-14-25(15-13-24)16-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,23,26)
InChIKeyAJIIKPBRJPXZMA-UHFFFAOYSA-N
XLogP2.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide (CID 39302909) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is AJIIKPBRJPXZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c22-19-6-8-20(9-7-19)27-17-21(26)23-10-11-24-12-14-25(15-13-24)16-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,23,26).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 387.91 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 39302909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).