ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate

C15H21NO3S — CID 70028632

IUPACethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate
SMILESCCOC(=O)CC1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C15H21NO3S/c1-2-19-15(18)9-12-5-3-7-16(11-12)14(17)10-13-6-4-8-20-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3
InChIKeyIBHVSMNBEDJFDJ-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.48
Rot. Bonds5

About ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate

ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate (PubChem CID 70028632) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate
PubChem CID70028632
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Nameethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate
SMILESCCOC(=O)CC1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C15H21NO3S/c1-2-19-15(18)9-12-5-3-7-16(11-12)14(17)10-13-6-4-8-20-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3
InChIKeyIBHVSMNBEDJFDJ-UHFFFAOYSA-N
XLogP2.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate?
The IUPAC name of ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate (CID 70028632) is ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate is CCOC(=O)CC1CCCN(C(=O)Cc2cccs2)C1.
What is the InChIKey of ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate?
The InChIKey is IBHVSMNBEDJFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-19-15(18)9-12-5-3-7-16(11-12)14(17)10-13-6-4-8-20-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3.
What are the key properties of ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate?
ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate has a molecular weight of 295.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetate is sourced from PubChem (CID 70028632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).