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

C19H21ClN2O3 — CID 1310009

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-24-17-5-7-18(8-6-17)25-14-19(23)22-11-9-21(10-12-22)16-4-2-3-15(20)13-16/h2-8,13H,9-12,14H2,1H3
InChIKeyGCQOVLDPHKXXHS-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.08
Rot. Bonds5

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

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone (PubChem CID 1310009) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
PubChem CID1310009
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-24-17-5-7-18(8-6-17)25-14-19(23)22-11-9-21(10-12-22)16-4-2-3-15(20)13-16/h2-8,13H,9-12,14H2,1H3
InChIKeyGCQOVLDPHKXXHS-UHFFFAOYSA-N
XLogP3.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone (CID 1310009) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The InChIKey is GCQOVLDPHKXXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-24-17-5-7-18(8-6-17)25-14-19(23)22-11-9-21(10-12-22)16-4-2-3-15(20)13-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone has a molecular weight of 360.84 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 1310009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).