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

C18H25NO4S — CID 7243495

IUPACethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(c3cccs3)CCOCC2)CC1
InChIInChI=1S/C18H25NO4S/c1-2-23-16(20)14-5-9-19(10-6-14)17(21)18(7-11-22-12-8-18)15-4-3-13-24-15/h3-4,13-14H,2,5-12H2,1H3
InChIKeyOTPQNTZIFQQBPG-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.60
Rot. Bonds4

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

ethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate (PubChem CID 7243495) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is ethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate
PubChem CID7243495
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Nameethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(c3cccs3)CCOCC2)CC1
InChIInChI=1S/C18H25NO4S/c1-2-23-16(20)14-5-9-19(10-6-14)17(21)18(7-11-22-12-8-18)15-4-3-13-24-15/h3-4,13-14H,2,5-12H2,1H3
InChIKeyOTPQNTZIFQQBPG-UHFFFAOYSA-N
XLogP2.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate (CID 7243495) is ethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2(c3cccs3)CCOCC2)CC1.
What is the InChIKey of ethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is OTPQNTZIFQQBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-2-23-16(20)14-5-9-19(10-6-14)17(21)18(7-11-22-12-8-18)15-4-3-13-24-15/h3-4,13-14H,2,5-12H2,1H3.
What are the key properties of ethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 351.47 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-thiophen-2-yloxane-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 7243495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).