1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

C22H28N2O3 — CID 11726532

IUPAC1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
SMILESCOc1cccc(C(=O)CCCN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C22H28N2O3/c1-26-19-8-5-7-18(17-19)21(25)10-6-12-23-13-15-24(16-14-23)20-9-3-4-11-22(20)27-2/h3-5,7-9,11,17H,6,10,12-16H2,1-2H3
InChIKeyXGXUWJSIDSMGFX-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.49
Rot. Bonds8

About 1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one (PubChem CID 11726532) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
PubChem CID11726532
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
SMILESCOc1cccc(C(=O)CCCN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C22H28N2O3/c1-26-19-8-5-7-18(17-19)21(25)10-6-12-23-13-15-24(16-14-23)20-9-3-4-11-22(20)27-2/h3-5,7-9,11,17H,6,10,12-16H2,1-2H3
InChIKeyXGXUWJSIDSMGFX-UHFFFAOYSA-N
XLogP3.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one (CID 11726532) is 1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one is COc1cccc(C(=O)CCCN2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one?
The InChIKey is XGXUWJSIDSMGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-19-8-5-7-18(17-19)21(25)10-6-12-23-13-15-24(16-14-23)20-9-3-4-11-22(20)27-2/h3-5,7-9,11,17H,6,10,12-16H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one?
1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one has a molecular weight of 368.48 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 11726532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).