N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide

C14H16N4O2S — CID 71929567

IUPACN-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide
SMILESCn1ccc(N2CCCC(NC(=O)c3ccsc3)C2=O)n1
InChIInChI=1S/C14H16N4O2S/c1-17-7-4-12(16-17)18-6-2-3-11(14(18)20)15-13(19)10-5-8-21-9-10/h4-5,7-9,11H,2-3,6H2,1H3,(H,15,19)
InChIKeyBWCIYARFIFUVEM-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.41
Rot. Bonds3

About N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide

N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide (PubChem CID 71929567) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide
PubChem CID71929567
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide
SMILESCn1ccc(N2CCCC(NC(=O)c3ccsc3)C2=O)n1
InChIInChI=1S/C14H16N4O2S/c1-17-7-4-12(16-17)18-6-2-3-11(14(18)20)15-13(19)10-5-8-21-9-10/h4-5,7-9,11H,2-3,6H2,1H3,(H,15,19)
InChIKeyBWCIYARFIFUVEM-UHFFFAOYSA-N
XLogP1.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide (CID 71929567) is N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide is Cn1ccc(N2CCCC(NC(=O)c3ccsc3)C2=O)n1.
What is the InChIKey of N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is BWCIYARFIFUVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-17-7-4-12(16-17)18-6-2-3-11(14(18)20)15-13(19)10-5-8-21-9-10/h4-5,7-9,11H,2-3,6H2,1H3,(H,15,19).
What are the key properties of N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide?
N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 71929567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).