ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate

C14H19NO4S — CID 79461401

IUPACethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cc(OC)cs1
InChIInChI=1S/C14H19NO4S/c1-3-19-14(17)11-6-4-5-7-15(11)13(16)12-8-10(18-2)9-20-12/h8-9,11H,3-7H2,1-2H3
InChIKeyIRQDNVUZSHWEGB-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.31
Rot. Bonds4

About ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate

ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate (PubChem CID 79461401) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
PubChem CID79461401
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Nameethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cc(OC)cs1
InChIInChI=1S/C14H19NO4S/c1-3-19-14(17)11-6-4-5-7-15(11)13(16)12-8-10(18-2)9-20-12/h8-9,11H,3-7H2,1-2H3
InChIKeyIRQDNVUZSHWEGB-UHFFFAOYSA-N
XLogP2.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
[2-(2-chloroethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81129656
ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate
CID 78991939
ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate
CID 122159396
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81122202
ethyl 1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 79693514
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005656
(4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 81118490
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
ethyl 1-(3,5-ditert-butyl-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 143081220
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
ethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80997012

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate (CID 79461401) is ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1cc(OC)cs1.
What is the InChIKey of ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is IRQDNVUZSHWEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-19-14(17)11-6-4-5-7-15(11)13(16)12-8-10(18-2)9-20-12/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate?
ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 79461401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).