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

C18H25NO3S — CID 42435336

IUPACethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C18H25NO3S/c1-2-22-16(20)14-7-11-19(12-8-14)17(21)18(9-3-4-10-18)15-6-5-13-23-15/h5-6,13-14H,2-4,7-12H2,1H3
InChIKeyNNBMFNZVRNPGBE-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.36
Rot. Bonds4

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

ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate (PubChem CID 42435336) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate
PubChem CID42435336
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Nameethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C18H25NO3S/c1-2-22-16(20)14-7-11-19(12-8-14)17(21)18(9-3-4-10-18)15-6-5-13-23-15/h5-6,13-14H,2-4,7-12H2,1H3
InChIKeyNNBMFNZVRNPGBE-UHFFFAOYSA-N
XLogP3.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxamide
CID 42435653
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119519335
methyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate
CID 7243501
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 56763974
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90638767

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate (CID 42435336) is ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2(c3cccs3)CCCC2)CC1.
What is the InChIKey of ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate?
The InChIKey is NNBMFNZVRNPGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-2-22-16(20)14-7-11-19(12-8-14)17(21)18(9-3-4-10-18)15-6-5-13-23-15/h5-6,13-14H,2-4,7-12H2,1H3.
What are the key properties of ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate?
ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate has a molecular weight of 335.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 42435336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).