N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide

C22H22N2O3S — CID 42527555

IUPACN-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C22H22N2O3S/c25-21(13-16-8-12-28-15-16)24-9-6-17(7-10-24)22(26)23-19-4-1-3-18(14-19)20-5-2-11-27-20/h1-5,8,11-12,14-15,17H,6-7,9-10,13H2,(H,23,26)
InChIKeyUGXNOYACWPLXET-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.43
Rot. Bonds5

About N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide

N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide (PubChem CID 42527555) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide
PubChem CID42527555
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C22H22N2O3S/c25-21(13-16-8-12-28-15-16)24-9-6-17(7-10-24)22(26)23-19-4-1-3-18(14-19)20-5-2-11-27-20/h1-5,8,11-12,14-15,17H,6-7,9-10,13H2,(H,23,26)
InChIKeyUGXNOYACWPLXET-UHFFFAOYSA-N
XLogP4.43
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide (CID 42527555) is N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide is O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide?
The InChIKey is UGXNOYACWPLXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-21(13-16-8-12-28-15-16)24-9-6-17(7-10-24)22(26)23-19-4-1-3-18(14-19)20-5-2-11-27-20/h1-5,8,11-12,14-15,17H,6-7,9-10,13H2,(H,23,26).
What are the key properties of N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide?
N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 42527555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).