2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone

C20H23ClN2O3 — CID 20970552

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C20H23ClN2O3/c1-25-19-8-3-15(13-20(19)26-2)18(24)14-22-9-11-23(12-10-22)17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyKENIYDDJUBGNEN-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.36
Rot. Bonds6

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone

2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone (PubChem CID 20970552) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone
PubChem CID20970552
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C20H23ClN2O3/c1-25-19-8-3-15(13-20(19)26-2)18(24)14-22-9-11-23(12-10-22)17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyKENIYDDJUBGNEN-UHFFFAOYSA-N
XLogP3.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone (CID 20970552) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1OC.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is KENIYDDJUBGNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-25-19-8-3-15(13-20(19)26-2)18(24)14-22-9-11-23(12-10-22)17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone?
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 374.87 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 20970552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).