2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide

C21H25Cl2N3O2 — CID 9260123

IUPAC2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CN1CCN(CCOc2ccc(Cl)cc2)CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H25Cl2N3O2/c22-18-3-1-17(2-4-18)15-24-21(27)16-26-11-9-25(10-12-26)13-14-28-20-7-5-19(23)6-8-20/h1-8H,9-16H2,(H,24,27)
InChIKeyUCGIVDMJMVMIJL-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.31
Rot. Bonds8

About 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide

2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 9260123) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID9260123
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CN1CCN(CCOc2ccc(Cl)cc2)CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H25Cl2N3O2/c22-18-3-1-17(2-4-18)15-24-21(27)16-26-11-9-25(10-12-26)13-14-28-20-7-5-19(23)6-8-20/h1-8H,9-16H2,(H,24,27)
InChIKeyUCGIVDMJMVMIJL-UHFFFAOYSA-N
XLogP3.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9260239
N-benzyl-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260179
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
2-[[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 8907064
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
CID 87016083
4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 55840604
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35803451
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112801714
N-benzyl-2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 18138118
N-[(4-chlorophenyl)methyl]-2-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]acetamide
CID 167978850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide (CID 9260123) is 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide is O=C(CN1CCN(CCOc2ccc(Cl)cc2)CC1)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is UCGIVDMJMVMIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c22-18-3-1-17(2-4-18)15-24-21(27)16-26-11-9-25(10-12-26)13-14-28-20-7-5-19(23)6-8-20/h1-8H,9-16H2,(H,24,27).
What are the key properties of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide?
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 422.36 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 9260123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).