methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate

C17H23NO4S — CID 7243501

IUPACmethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2(c3cccs3)CCOCC2)CC1
InChIInChI=1S/C17H23NO4S/c1-21-15(19)13-4-8-18(9-5-13)16(20)17(6-10-22-11-7-17)14-3-2-12-23-14/h2-3,12-13H,4-11H2,1H3
InChIKeyXFXWQKDYXBBZII-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.21
Rot. Bonds3

About methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate

methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate (PubChem CID 7243501) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate
PubChem CID7243501
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Namemethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2(c3cccs3)CCOCC2)CC1
InChIInChI=1S/C17H23NO4S/c1-21-15(19)13-4-8-18(9-5-13)16(20)17(6-10-22-11-7-17)14-3-2-12-23-14/h2-3,12-13H,4-11H2,1H3
InChIKeyXFXWQKDYXBBZII-UHFFFAOYSA-N
XLogP2.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617
ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate
CID 42435336
1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxamide
CID 42435653
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119519335
methyl 1-[4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carbonyl]piperidine-4-carboxylate
CID 110082822
methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate
CID 78968034
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90637462

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate (CID 7243501) is methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2(c3cccs3)CCOCC2)CC1.
What is the InChIKey of methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is XFXWQKDYXBBZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-21-15(19)13-4-8-18(9-5-13)16(20)17(6-10-22-11-7-17)14-3-2-12-23-14/h2-3,12-13H,4-11H2,1H3.
What are the key properties of methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 337.44 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 7243501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).