2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide

C17H20N4O3 — CID 122137425

IUPAC2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCCN(c3ccn(C)n3)C2=O)c(O)c1
InChIInChI=1S/C17H20N4O3/c1-11-5-6-12(14(22)10-11)16(23)18-13-4-3-8-21(17(13)24)15-7-9-20(2)19-15/h5-7,9-10,13,22H,3-4,8H2,1-2H3,(H,18,23)
InChIKeyGTHABVNNNBZABK-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.36
Rot. Bonds3

About 2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide

2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide (PubChem CID 122137425) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide
PubChem CID122137425
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCCN(c3ccn(C)n3)C2=O)c(O)c1
InChIInChI=1S/C17H20N4O3/c1-11-5-6-12(14(22)10-11)16(23)18-13-4-3-8-21(17(13)24)15-7-9-20(2)19-15/h5-7,9-10,13,22H,3-4,8H2,1-2H3,(H,18,23)
InChIKeyGTHABVNNNBZABK-UHFFFAOYSA-N
XLogP1.36
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide (CID 122137425) is 2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide is Cc1ccc(C(=O)NC2CCCN(c3ccn(C)n3)C2=O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide?
The InChIKey is GTHABVNNNBZABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-5-6-12(14(22)10-11)16(23)18-13-4-3-8-21(17(13)24)15-7-9-20(2)19-15/h5-7,9-10,13,22H,3-4,8H2,1-2H3,(H,18,23).
What are the key properties of 2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide?
2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 122137425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).