3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

C24H26N2O2S — CID 59152278

IUPAC3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(-c2ccc(CCC(=O)N3CCN(c4ccccc4)CC3)s2)cc1
InChIInChI=1S/C24H26N2O2S/c1-28-21-9-7-19(8-10-21)23-13-11-22(29-23)12-14-24(27)26-17-15-25(16-18-26)20-5-3-2-4-6-20/h2-11,13H,12,14-18H2,1H3
InChIKeyMJHLGAZEAOBRGB-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.71
Rot. Bonds6

About 3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 59152278) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID59152278
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(-c2ccc(CCC(=O)N3CCN(c4ccccc4)CC3)s2)cc1
InChIInChI=1S/C24H26N2O2S/c1-28-21-9-7-19(8-10-21)23-13-11-22(29-23)12-14-24(27)26-17-15-25(16-18-26)20-5-3-2-4-6-20/h2-11,13H,12,14-18H2,1H3
InChIKeyMJHLGAZEAOBRGB-UHFFFAOYSA-N
XLogP4.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 59152278) is 3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one is COc1ccc(-c2ccc(CCC(=O)N3CCN(c4ccccc4)CC3)s2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is MJHLGAZEAOBRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-28-21-9-7-19(8-10-21)23-13-11-22(29-23)12-14-24(27)26-17-15-25(16-18-26)20-5-3-2-4-6-20/h2-11,13H,12,14-18H2,1H3.
What are the key properties of 3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 406.55 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 59152278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).