[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

C20H21NO4S — CID 18104061

IUPAC[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESCC1CCCN(C(=O)COC(=O)c2cc3c(s2)-c2ccccc2OC3)C1
InChIInChI=1S/C20H21NO4S/c1-13-5-4-8-21(10-13)18(22)12-25-20(23)17-9-14-11-24-16-7-3-2-6-15(16)19(14)26-17/h2-3,6-7,9,13H,4-5,8,10-12H2,1H3
InChIKeyWTLVNJBQRVOHSS-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.72
Rot. Bonds3

About [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 18104061) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID18104061
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESCC1CCCN(C(=O)COC(=O)c2cc3c(s2)-c2ccccc2OC3)C1
InChIInChI=1S/C20H21NO4S/c1-13-5-4-8-21(10-13)18(22)12-25-20(23)17-9-14-11-24-16-7-3-2-6-15(16)19(14)26-17/h2-3,6-7,9,13H,4-5,8,10-12H2,1H3
InChIKeyWTLVNJBQRVOHSS-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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Related Compounds

[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253191
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621393
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621400
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18273200
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 41228103
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 46610035
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 7620005
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 41188116
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 27265870
(2-methylmorpholin-4-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 17466146
[2-(4-acetamidoanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 16512837
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253168

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate (CID 18104061) is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate is CC1CCCN(C(=O)COC(=O)c2cc3c(s2)-c2ccccc2OC3)C1.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is WTLVNJBQRVOHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-13-5-4-8-21(10-13)18(22)12-25-20(23)17-9-14-11-24-16-7-3-2-6-15(16)19(14)26-17/h2-3,6-7,9,13H,4-5,8,10-12H2,1H3.
What are the key properties of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-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 [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 18104061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).