1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone

C20H23ClN2O4 — CID 113080567

IUPAC1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone
SMILESCOc1cc(N2CCN(C(=O)COc3ccccc3)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-25-18-13-17(19(26-2)12-16(18)21)22-8-10-23(11-9-22)20(24)14-27-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyXJAWACLNJZVLRD-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.08
Rot. Bonds6

About 1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone

1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone (PubChem CID 113080567) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone
PubChem CID113080567
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone
SMILESCOc1cc(N2CCN(C(=O)COc3ccccc3)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H23ClN2O4/c1-25-18-13-17(19(26-2)12-16(18)21)22-8-10-23(11-9-22)20(24)14-27-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyXJAWACLNJZVLRD-UHFFFAOYSA-N
XLogP3.08
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 2204350
1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 113080545
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 30795165
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
2-(4-bromo-2-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 2226885
1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxyethanone
CID 7590243
methyl 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]benzoate
CID 113078382
1-[4-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]piperazin-1-yl]-2-phenoxyethanone
CID 46088246
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one
CID 176932959

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone (CID 113080567) is 1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone is COc1cc(N2CCN(C(=O)COc3ccccc3)CC2)c(OC)cc1Cl.
What is the InChIKey of 1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is XJAWACLNJZVLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-25-18-13-17(19(26-2)12-16(18)21)22-8-10-23(11-9-22)20(24)14-27-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone?
1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 390.87 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 113080567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).