ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate

C14H19NO3S — CID 10588916

IUPACethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H19NO3S/c1-2-18-13(16)10-11-5-7-15(8-6-11)14(17)12-4-3-9-19-12/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyDFSWPIWTRIIXNU-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.55
Rot. Bonds4

About ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate

ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate (PubChem CID 10588916) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate
PubChem CID10588916
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Nameethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H19NO3S/c1-2-18-13(16)10-11-5-7-15(8-6-11)14(17)12-4-3-9-19-12/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyDFSWPIWTRIIXNU-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
CID 108569593
ethyl 2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]acetate
CID 10849452
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
CID 113080733
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate (CID 10588916) is ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate is CCOC(=O)CC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate?
The InChIKey is DFSWPIWTRIIXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-2-18-13(16)10-11-5-7-15(8-6-11)14(17)12-4-3-9-19-12/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate?
ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate has a molecular weight of 281.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate is sourced from PubChem (CID 10588916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).