3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide

C16H20N4O3 — CID 129475291

IUPAC3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide
SMILESO=C(CCc1ccco1)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C16H20N4O3/c21-14(6-5-13-4-2-10-23-13)19-12-3-1-9-20(11-12)15-16(22)18-8-7-17-15/h2,4,7-8,10,12H,1,3,5-6,9,11H2,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyJHQFEFJRITVBSI-GFCCVEGCSA-N
MW316.36 g/mol
LogP1.08
Rot. Bonds5

About 3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide

3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide (PubChem CID 129475291) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide
PubChem CID129475291
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide
SMILESO=C(CCc1ccco1)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C16H20N4O3/c21-14(6-5-13-4-2-10-23-13)19-12-3-1-9-20(11-12)15-16(22)18-8-7-17-15/h2,4,7-8,10,12H,1,3,5-6,9,11H2,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyJHQFEFJRITVBSI-GFCCVEGCSA-N
XLogP1.08
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide (CID 129475291) is 3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide is O=C(CCc1ccco1)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide?
The InChIKey is JHQFEFJRITVBSI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-14(6-5-13-4-2-10-23-13)19-12-3-1-9-20(11-12)15-16(22)18-8-7-17-15/h2,4,7-8,10,12H,1,3,5-6,9,11H2,(H,18,22)(H,19,21)/t12-/m1/s1.
What are the key properties of 3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide?
3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide has a molecular weight of 316.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 129475291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).