tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate

C19H26N4O4S — CID 24539064

IUPACtert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESCCc1cc2c(=O)n(NC(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cnc2s1
InChIInChI=1S/C19H26N4O4S/c1-5-13-9-14-16(28-13)20-11-23(17(14)25)21-15(24)12-7-6-8-22(10-12)18(26)27-19(2,3)4/h9,11-12H,5-8,10H2,1-4H3,(H,21,24)
InChIKeyCMSIRSPCLPKAHT-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.74
Rot. Bonds3

About tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 24539064) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID24539064
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Nametert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate
SMILESCCc1cc2c(=O)n(NC(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cnc2s1
InChIInChI=1S/C19H26N4O4S/c1-5-13-9-14-16(28-13)20-11-23(17(14)25)21-15(24)12-7-6-8-22(10-12)18(26)27-19(2,3)4/h9,11-12H,5-8,10H2,1-4H3,(H,21,24)
InChIKeyCMSIRSPCLPKAHT-UHFFFAOYSA-N
XLogP2.74
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
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tert-butyl (3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;sulfane
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2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate (CID 24539064) is tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate is CCc1cc2c(=O)n(NC(=O)C3CCCN(C(=O)OC(C)(C)C)C3)cnc2s1.
What is the InChIKey of tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is CMSIRSPCLPKAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-5-13-9-14-16(28-13)20-11-23(17(14)25)21-15(24)12-7-6-8-22(10-12)18(26)27-19(2,3)4/h9,11-12H,5-8,10H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 406.51 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 24539064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).