ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate

C17H20N2O4S — CID 124616460

IUPACethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)Cn2ccc3sccc3c2=O)C1
InChIInChI=1S/C17H20N2O4S/c1-2-23-17(22)12-4-3-7-18(10-12)15(20)11-19-8-5-14-13(16(19)21)6-9-24-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3/t12-/m1/s1
InChIKeyRBZMQBFVEXUCQP-GFCCVEGCSA-N
MW348.42 g/mol
LogP1.86
Rot. Bonds4

About ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate (PubChem CID 124616460) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate
PubChem CID124616460
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Nameethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)Cn2ccc3sccc3c2=O)C1
InChIInChI=1S/C17H20N2O4S/c1-2-23-17(22)12-4-3-7-18(10-12)15(20)11-19-8-5-14-13(16(19)21)6-9-24-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3/t12-/m1/s1
InChIKeyRBZMQBFVEXUCQP-GFCCVEGCSA-N
XLogP1.86
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl (3R)-1-[2-[8-(3-methylbutyl)-7,12-dioxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl]acetyl]piperidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate (CID 124616460) is ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)Cn2ccc3sccc3c2=O)C1.
What is the InChIKey of ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is RBZMQBFVEXUCQP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-23-17(22)12-4-3-7-18(10-12)15(20)11-19-8-5-14-13(16(19)21)6-9-24-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 348.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-(4-oxothieno[3,2-c]pyridin-5-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 124616460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).