[piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate

C15H23NO2S — CID 174779400

IUPAC[piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(c1ccsc1)N1CCCCC1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)14(17)18-13(12-7-10-19-11-12)16-8-5-4-6-9-16/h7,10-11,13H,4-6,8-9H2,1-3H3
InChIKeyCGPCQFSPHIRSAZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.82
Rot. Bonds3

About [piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate

[piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate (PubChem CID 174779400) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is [piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate
PubChem CID174779400
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name[piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(c1ccsc1)N1CCCCC1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)14(17)18-13(12-7-10-19-11-12)16-8-5-4-6-9-16/h7,10-11,13H,4-6,8-9H2,1-3H3
InChIKeyCGPCQFSPHIRSAZ-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate?
The IUPAC name of [piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate (CID 174779400) is [piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate?
The canonical SMILES for [piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(c1ccsc1)N1CCCCC1.
What is the InChIKey of [piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate?
The InChIKey is CGPCQFSPHIRSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,3)14(17)18-13(12-7-10-19-11-12)16-8-5-4-6-9-16/h7,10-11,13H,4-6,8-9H2,1-3H3.
What are the key properties of [piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate?
[piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate has a molecular weight of 281.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [piperidin-1-yl(thiophen-3-yl)methyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174779400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).