2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide

C16H20N4O3S — CID 56820198

IUPAC2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C16H20N4O3S/c17-16(21)10-13-6-8-19(9-7-13)24(22,23)15-11-18-20(12-15)14-4-2-1-3-5-14/h1-5,11-13H,6-10H2,(H2,17,21)
InChIKeyYRYLMDZQMPEKCJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.15
Rot. Bonds5

About 2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide

2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 56820198) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
PubChem CID56820198
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C16H20N4O3S/c17-16(21)10-13-6-8-19(9-7-13)24(22,23)15-11-18-20(12-15)14-4-2-1-3-5-14/h1-5,11-13H,6-10H2,(H2,17,21)
InChIKeyYRYLMDZQMPEKCJ-UHFFFAOYSA-N
XLogP1.15
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide (CID 56820198) is 2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide is NC(=O)CC1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of 2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is YRYLMDZQMPEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c17-16(21)10-13-6-8-19(9-7-13)24(22,23)15-11-18-20(12-15)14-4-2-1-3-5-14/h1-5,11-13H,6-10H2,(H2,17,21).
What are the key properties of 2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide?
2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 56820198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).