(5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone

C14H22N2OS — CID 59599798

IUPAC(5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)12-6-5-11(18-12)13(17)16-9-7-15(4)8-10-16/h5-6H,7-10H2,1-4H3
InChIKeyLCBIFINHQQLDFG-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.43
Rot. Bonds1

About (5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone

(5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 59599798) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID59599798
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name(5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)12-6-5-11(18-12)13(17)16-9-7-15(4)8-10-16/h5-6H,7-10H2,1-4H3
InChIKeyLCBIFINHQQLDFG-UHFFFAOYSA-N
XLogP2.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 59599798) is (5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LCBIFINHQQLDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,3)12-6-5-11(18-12)13(17)16-9-7-15(4)8-10-16/h5-6H,7-10H2,1-4H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone?
(5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 266.41 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 59599798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).