(4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

C20H24N2O2S — CID 9022655

IUPAC(4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H24N2O2S/c1-20(2,3)16-8-6-15(7-9-16)18(23)21-10-12-22(13-11-21)19(24)17-5-4-14-25-17/h4-9,14H,10-13H2,1-3H3
InChIKeyDEUPBZFOYYLHNI-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.64
Rot. Bonds2

About (4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

(4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 9022655) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID9022655
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C20H24N2O2S/c1-20(2,3)16-8-6-15(7-9-16)18(23)21-10-12-22(13-11-21)19(24)17-5-4-14-25-17/h4-9,14H,10-13H2,1-3H3
InChIKeyDEUPBZFOYYLHNI-UHFFFAOYSA-N
XLogP3.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (CID 9022655) is (4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is DEUPBZFOYYLHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-20(2,3)16-8-6-15(7-9-16)18(23)21-10-12-22(13-11-21)19(24)17-5-4-14-25-17/h4-9,14H,10-13H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
(4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 356.49 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9022655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).