2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide

C20H25Cl2N3O2+2 — CID 9260208

IUPAC2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(C[NH+]1CC[NH+](CCOc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H23Cl2N3O2/c21-16-1-5-18(6-2-16)23-20(26)15-25-11-9-24(10-12-25)13-14-27-19-7-3-17(22)4-8-19/h1-8H,9-15H2,(H,23,26)/p+2
InChIKeyZLYVKAKIOHQSBB-UHFFFAOYSA-P
MW410.35 g/mol
LogP0.79
Rot. Bonds7

About 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide

2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 9260208) has the molecular formula C20H25Cl2N3O2+2 and a molecular weight of 410.35 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide
PubChem CID9260208
Molecular FormulaC20H25Cl2N3O2+2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC Name2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(C[NH+]1CC[NH+](CCOc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H23Cl2N3O2/c21-16-1-5-18(6-2-16)23-20(26)15-25-11-9-24(10-12-25)13-14-27-19-7-3-17(22)4-8-19/h1-8H,9-15H2,(H,23,26)/p+2
InChIKeyZLYVKAKIOHQSBB-UHFFFAOYSA-P
XLogP0.79
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide
CID 9260155
2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9260240
N-naphthalen-2-yl-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259816
2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 5062155
2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9260199
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(3-methoxyphenyl)acetamide
CID 9259161
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259647
2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 9260284
(2R)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-ethylphenyl)propanamide
CID 9357404
N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 8896631
N-(2,6-dimethylphenyl)-2-[4-[2-(4-propoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8744648
N-(2,4-dimethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9259349

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide (CID 9260208) is 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide is O=C(C[NH+]1CC[NH+](CCOc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is ZLYVKAKIOHQSBB-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H23Cl2N3O2/c21-16-1-5-18(6-2-16)23-20(26)15-25-11-9-24(10-12-25)13-14-27-19-7-3-17(22)4-8-19/h1-8H,9-15H2,(H,23,26)/p+2.
What are the key properties of 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide?
2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 410.35 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 9260208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).