N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide

C16H20N2O2S — CID 4880331

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1cccs1
InChIInChI=1S/C16H20N2O2S/c19-16(15-7-5-11-21-15)17-12-13(14-6-4-10-20-14)18-8-2-1-3-9-18/h4-7,10-11,13H,1-3,8-9,12H2,(H,17,19)
InChIKeyZMBYQWZKUSIBDT-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide (PubChem CID 4880331) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide
PubChem CID4880331
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1cccs1
InChIInChI=1S/C16H20N2O2S/c19-16(15-7-5-11-21-15)17-12-13(14-6-4-10-20-14)18-8-2-1-3-9-18/h4-7,10-11,13H,1-3,8-9,12H2,(H,17,19)
InChIKeyZMBYQWZKUSIBDT-UHFFFAOYSA-N
XLogP3.30
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide (CID 4880331) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide is O=C(NCC(c1ccco1)N1CCCCC1)c1cccs1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is ZMBYQWZKUSIBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-16(15-7-5-11-21-15)17-12-13(14-6-4-10-20-14)18-8-2-1-3-9-18/h4-7,10-11,13H,1-3,8-9,12H2,(H,17,19).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4880331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).