ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate

C20H21NO4S — CID 20877853

IUPACethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
InChIInChI=1S/C20H21NO4S/c1-2-24-20(23)13-7-9-21(10-8-13)19(22)17-11-14-12-25-16-6-4-3-5-15(16)18(14)26-17/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyAHAXTSJEUDPYDC-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.72
Rot. Bonds3

About ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 20877853) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate
PubChem CID20877853
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Nameethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
InChIInChI=1S/C20H21NO4S/c1-2-24-20(23)13-7-9-21(10-8-13)19(22)17-11-14-12-25-16-6-4-3-5-15(16)18(14)26-17/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyAHAXTSJEUDPYDC-UHFFFAOYSA-N
XLogP3.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate (CID 20877853) is ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1.
What is the InChIKey of ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is AHAXTSJEUDPYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-2-24-20(23)13-7-9-21(10-8-13)19(22)17-11-14-12-25-16-6-4-3-5-15(16)18(14)26-17/h3-6,11,13H,2,7-10,12H2,1H3.
What are the key properties of ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 371.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 20877853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).