5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide

C16H20N4O3 — CID 97059329

IUPAC5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)o1
InChIInChI=1S/C16H20N4O3/c1-3-11-6-7-13(23-11)15(21)17-12-5-4-9-20(16(12)22)14-8-10-19(2)18-14/h6-8,10,12H,3-5,9H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyJZEQOXSTUPWBDK-LBPRGKRZSA-N
MW316.36 g/mol
LogP1.50
Rot. Bonds4

About 5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide

5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide (PubChem CID 97059329) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide
PubChem CID97059329
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)o1
InChIInChI=1S/C16H20N4O3/c1-3-11-6-7-13(23-11)15(21)17-12-5-4-9-20(16(12)22)14-8-10-19(2)18-14/h6-8,10,12H,3-5,9H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyJZEQOXSTUPWBDK-LBPRGKRZSA-N
XLogP1.50
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide (CID 97059329) is 5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide is CCc1ccc(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)o1.
What is the InChIKey of 5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide?
The InChIKey is JZEQOXSTUPWBDK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-11-6-7-13(23-11)15(21)17-12-5-4-9-20(16(12)22)14-8-10-19(2)18-14/h6-8,10,12H,3-5,9H2,1-2H3,(H,17,21)/t12-/m0/s1.
What are the key properties of 5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide?
5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 97059329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).