1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide

C23H30N4OS2 — CID 55661621

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NC(c4cccs4)C(C)(C)C)CC3)c2c1C
InChIInChI=1S/C23H30N4OS2/c1-14-15(2)30-22-18(14)20(24-13-25-22)27-10-8-16(9-11-27)21(28)26-19(23(3,4)5)17-7-6-12-29-17/h6-7,12-13,16,19H,8-11H2,1-5H3,(H,26,28)
InChIKeyYPQAUCVVGQQCHU-UHFFFAOYSA-N
MW442.65 g/mol
LogP5.49
Rot. Bonds4

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide (PubChem CID 55661621) has the molecular formula C23H30N4OS2 and a molecular weight of 442.65 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
PubChem CID55661621
Molecular FormulaC23H30N4OS2
Molecular Weight442.65 g/mol
Exact Mass442.19
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NC(c4cccs4)C(C)(C)C)CC3)c2c1C
InChIInChI=1S/C23H30N4OS2/c1-14-15(2)30-22-18(14)20(24-13-25-22)27-10-8-16(9-11-27)21(28)26-19(23(3,4)5)17-7-6-12-29-17/h6-7,12-13,16,19H,8-11H2,1-5H3,(H,26,28)
InChIKeyYPQAUCVVGQQCHU-UHFFFAOYSA-N
XLogP5.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide (CID 55661621) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)NC(c4cccs4)C(C)(C)C)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The InChIKey is YPQAUCVVGQQCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4OS2/c1-14-15(2)30-22-18(14)20(24-13-25-22)27-10-8-16(9-11-27)21(28)26-19(23(3,4)5)17-7-6-12-29-17/h6-7,12-13,16,19H,8-11H2,1-5H3,(H,26,28).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide has a molecular weight of 442.65 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55661621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).