(4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone

C13H20N2OS — CID 58523778

IUPAC(4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone
SMILESCC(C)(C)c1csc(C(=O)N2CCNCC2)c1
InChIInChI=1S/C13H20N2OS/c1-13(2,3)10-8-11(17-9-10)12(16)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3
InChIKeyTXKQKXUVSLEICJ-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.09
Rot. Bonds1

About (4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone

(4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone (PubChem CID 58523778) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone
PubChem CID58523778
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone
SMILESCC(C)(C)c1csc(C(=O)N2CCNCC2)c1
InChIInChI=1S/C13H20N2OS/c1-13(2,3)10-8-11(17-9-10)12(16)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3
InChIKeyTXKQKXUVSLEICJ-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone?
The IUPAC name of (4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone (CID 58523778) is (4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone is CC(C)(C)c1csc(C(=O)N2CCNCC2)c1.
What is the InChIKey of (4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone?
The InChIKey is TXKQKXUVSLEICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2,3)10-8-11(17-9-10)12(16)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3.
What are the key properties of (4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone?
(4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone has a molecular weight of 252.38 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiophen-2-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 58523778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).