N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide

C20H22N4O3S — CID 14699488

IUPACN-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide
SMILESO=C(c1ccco1)N(c1cnccn1)C1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C20H22N4O3S/c25-16(18-4-2-12-28-18)14-23-9-5-15(6-10-23)24(19-13-21-7-8-22-19)20(26)17-3-1-11-27-17/h1-4,7-8,11-13,15-16,25H,5-6,9-10,14H2
InChIKeyOZEIQENMFHWQEK-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.98
Rot. Bonds6

About N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide

N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide (PubChem CID 14699488) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide
PubChem CID14699488
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide
SMILESO=C(c1ccco1)N(c1cnccn1)C1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C20H22N4O3S/c25-16(18-4-2-12-28-18)14-23-9-5-15(6-10-23)24(19-13-21-7-8-22-19)20(26)17-3-1-11-27-17/h1-4,7-8,11-13,15-16,25H,5-6,9-10,14H2
InChIKeyOZEIQENMFHWQEK-UHFFFAOYSA-N
XLogP2.98
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide?
The IUPAC name of N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide (CID 14699488) is N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide is O=C(c1ccco1)N(c1cnccn1)C1CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide?
The InChIKey is OZEIQENMFHWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-16(18-4-2-12-28-18)14-23-9-5-15(6-10-23)24(19-13-21-7-8-22-19)20(26)17-3-1-11-27-17/h1-4,7-8,11-13,15-16,25H,5-6,9-10,14H2.
What are the key properties of N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide?
N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide is sourced from PubChem (CID 14699488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).