2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C23H22N2O2S — CID 1147951

IUPAC2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(c1cccs1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H22N2O2S/c26-22(20-12-7-17-28-20)24-13-15-25(16-14-24)23(27)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2
InChIKeyCUVGAMMYRIPWBL-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.86
Rot. Bonds4

About 2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 1147951) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID1147951
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(c1cccs1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H22N2O2S/c26-22(20-12-7-17-28-20)24-13-15-25(16-14-24)23(27)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2
InChIKeyCUVGAMMYRIPWBL-UHFFFAOYSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 1147951) is 2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is O=C(c1cccs1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is CUVGAMMYRIPWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-22(20-12-7-17-28-20)24-13-15-25(16-14-24)23(27)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2.
What are the key properties of 2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 390.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1147951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).