ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate

C16H23NO3S — CID 43404232

IUPACethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C16H23NO3S/c1-2-20-16(19)13-8-10-17(11-9-13)15(18)7-3-5-14-6-4-12-21-14/h4,6,12-13H,2-3,5,7-11H2,1H3
InChIKeyRMZLBBLHKZDKPG-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.87
Rot. Bonds6

About ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate

ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate (PubChem CID 43404232) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate
PubChem CID43404232
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Nameethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C16H23NO3S/c1-2-20-16(19)13-8-10-17(11-9-13)15(18)7-3-5-14-6-4-12-21-14/h4,6,12-13H,2-3,5,7-11H2,1H3
InChIKeyRMZLBBLHKZDKPG-UHFFFAOYSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester
CID 670001
ethyl 1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxylate
CID 2326411
Ethyl 1-(2-thienylcarbonyl)-4-piperidinecarboxylate
CID 728491
Ethyl 1-[(phenylthio)acetyl]-4-piperidinecarboxylate
CID 807612
ethyl 1-[(E)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enoyl]piperidine-4-carboxylate
CID 2338616
methyl (3R,4R)-1-methyl-3-thiophen-2-ylpiperidine-4-carboxylate
CID 90679944
methyl (3R,4S)-1-methyl-3-thiophen-2-ylpiperidine-4-carboxylate
CID 90679945
ethyl (1R,2S,3S,5R)-8-pentyl-2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 90680145
propyl (1R,2S,3S,5R)-8-methyl-2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 90680146
pentyl (1R,2S,3S,5R)-8-methyl-2-thiophen-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 90680147
Ethyl 4-phenyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylate
CID 172433487
Ethyl 1-[1-(thiophen-2-yl)cyclopentanecarbonyl]piperidine-4-carboxylate
CID 42435336

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate (CID 43404232) is ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCCc2cccs2)CC1.
What is the InChIKey of ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate?
The InChIKey is RMZLBBLHKZDKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-2-20-16(19)13-8-10-17(11-9-13)15(18)7-3-5-14-6-4-12-21-14/h4,6,12-13H,2-3,5,7-11H2,1H3.
What are the key properties of ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate?
ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate has a molecular weight of 309.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 43404232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).