ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate

C18H27NO3S — CID 51109948

IUPACethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCCCc1sc(C(=O)N2CCC(C(=O)OCC)CC2)cc1CC
InChIInChI=1S/C18H27NO3S/c1-4-7-15-13(5-2)12-16(23-15)17(20)19-10-8-14(9-11-19)18(21)22-6-3/h12,14H,4-11H2,1-3H3
InChIKeyAOIJGDWBJKKTHQ-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.68
Rot. Bonds6

About ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 51109948) has the molecular formula C18H27NO3S and a molecular weight of 337.49 g/mol. Its IUPAC name is ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate
PubChem CID51109948
Molecular FormulaC18H27NO3S
Molecular Weight337.49 g/mol
Exact Mass337.17
IUPAC Nameethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate
SMILESCCCc1sc(C(=O)N2CCC(C(=O)OCC)CC2)cc1CC
InChIInChI=1S/C18H27NO3S/c1-4-7-15-13(5-2)12-16(23-15)17(20)19-10-8-14(9-11-19)18(21)22-6-3/h12,14H,4-11H2,1-3H3
InChIKeyAOIJGDWBJKKTHQ-UHFFFAOYSA-N
XLogP3.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 61116998
ethyl 1-(4,5-dihydrothieno[2,3-e][1]benzothiole-2-carbonyl)piperidine-4-carboxylate
CID 20963392
ethyl 1-(thiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 43623389
(4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777539
(4-methoxypiperidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 71943781
ethyl 1-[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]piperidine-4-carboxylate
CID 71836473
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 134021901
ethyl 1-[(5S)-2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carbonyl]piperidine-4-carboxylate
CID 95109226
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 155572084
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate (CID 51109948) is ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate is CCCc1sc(C(=O)N2CCC(C(=O)OCC)CC2)cc1CC.
What is the InChIKey of ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is AOIJGDWBJKKTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3S/c1-4-7-15-13(5-2)12-16(23-15)17(20)19-10-8-14(9-11-19)18(21)22-6-3/h12,14H,4-11H2,1-3H3.
What are the key properties of ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 337.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 51109948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).