(1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate

C16H23NO2S — CID 54351072

IUPAC(1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate
SMILESCN1CCC(OC(=O)C2(c3ccsc3)CCCC2)CC1
InChIInChI=1S/C16H23NO2S/c1-17-9-4-14(5-10-17)19-15(18)16(7-2-3-8-16)13-6-11-20-12-13/h6,11-12,14H,2-5,7-10H2,1H3
InChIKeyUFURCRVNEBFDFJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.20
Rot. Bonds3

About (1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate

(1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate (PubChem CID 54351072) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate
PubChem CID54351072
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name(1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate
SMILESCN1CCC(OC(=O)C2(c3ccsc3)CCCC2)CC1
InChIInChI=1S/C16H23NO2S/c1-17-9-4-14(5-10-17)19-15(18)16(7-2-3-8-16)13-6-11-20-12-13/h6,11-12,14H,2-5,7-10H2,1H3
InChIKeyUFURCRVNEBFDFJ-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate (CID 54351072) is (1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate is CN1CCC(OC(=O)C2(c3ccsc3)CCCC2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate?
The InChIKey is UFURCRVNEBFDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-17-9-4-14(5-10-17)19-15(18)16(7-2-3-8-16)13-6-11-20-12-13/h6,11-12,14H,2-5,7-10H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate?
(1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate has a molecular weight of 293.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 54351072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).