[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate

C25H26N2O5S — CID 55314280

IUPAC[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)c2cc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C25H26N2O5S/c1-3-31-24(29)17-10-12-27(13-11-17)23(28)16(2)32-25(30)19-15-21(22-9-6-14-33-22)26-20-8-5-4-7-18(19)20/h4-9,14-17H,3,10-13H2,1-2H3
InChIKeyLEBXDDYPQSURBK-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.31
Rot. Bonds6

About [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate

[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate (PubChem CID 55314280) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
PubChem CID55314280
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)c2cc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C25H26N2O5S/c1-3-31-24(29)17-10-12-27(13-11-17)23(28)16(2)32-25(30)19-15-21(22-9-6-14-33-22)26-20-8-5-4-7-18(19)20/h4-9,14-17H,3,10-13H2,1-2H3
InChIKeyLEBXDDYPQSURBK-UHFFFAOYSA-N
XLogP4.31
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate with MolForge

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Related Compounds

(1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate
CID 42915242
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807519
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 30340313
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
CID 8944516
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2693325
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395388
ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate
CID 55314123
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
ethyl 1-[2-(4-acetamidophenyl)quinoline-4-carbonyl]piperidine-4-carboxylate
CID 46375305
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 55314439
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 30339243

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate?
The IUPAC name of [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate (CID 55314280) is [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate?
The canonical SMILES for [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)OC(=O)c2cc(-c3cccs3)nc3ccccc23)CC1.
What is the InChIKey of [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate?
The InChIKey is LEBXDDYPQSURBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-3-31-24(29)17-10-12-27(13-11-17)23(28)16(2)32-25(30)19-15-21(22-9-6-14-33-22)26-20-8-5-4-7-18(19)20/h4-9,14-17H,3,10-13H2,1-2H3.
What are the key properties of [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate?
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate has a molecular weight of 466.56 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 55314280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).