2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate

C14H21NO2S — CID 62217215

IUPAC2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate
SMILESO=C(CCC1CCCCN1)OCCc1cccs1
InChIInChI=1S/C14H21NO2S/c16-14(7-6-12-4-1-2-9-15-12)17-10-8-13-5-3-11-18-13/h3,5,11-12,15H,1-2,4,6-10H2
InChIKeyCGIPOJOPHKQMCK-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.76
Rot. Bonds6

About 2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate

2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate (PubChem CID 62217215) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate
PubChem CID62217215
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate
SMILESO=C(CCC1CCCCN1)OCCc1cccs1
InChIInChI=1S/C14H21NO2S/c16-14(7-6-12-4-1-2-9-15-12)17-10-8-13-5-3-11-18-13/h3,5,11-12,15H,1-2,4,6-10H2
InChIKeyCGIPOJOPHKQMCK-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-thiophen-2-ylethoxymethyl)pyrrolidine
CID 102820127
3-piperidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 62212619
benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
CID 58375773
2-[(2S)-piperidin-2-yl]ethyl 2-phenylacetate
CID 86319530
(2S)-2-(thiophen-2-ylmethyl)azepane
CID 94481267
N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 106626023
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate
CID 54966664
N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 79476302
2-(2-piperidin-2-ylethoxy)pyridine-3-carboxamide
CID 62347441
thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate
CID 78923175

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate?
The IUPAC name of 2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate (CID 62217215) is 2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate.
What is the SMILES notation for 2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate?
The canonical SMILES for 2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate is O=C(CCC1CCCCN1)OCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate?
The InChIKey is CGIPOJOPHKQMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c16-14(7-6-12-4-1-2-9-15-12)17-10-8-13-5-3-11-18-13/h3,5,11-12,15H,1-2,4,6-10H2.
What are the key properties of 2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate?
2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate has a molecular weight of 267.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate is sourced from PubChem (CID 62217215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).