3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

C19H25FN4O3S — CID 91913356

IUPAC3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)CCC1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C19H25FN4O3S/c1-14-16(12-22-23-14)11-21-19(25)8-7-15-4-3-9-24(13-15)28(26,27)18-6-2-5-17(20)10-18/h2,5-6,10,12,15H,3-4,7-9,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyLWGPUXQXPQYJRY-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.35
Rot. Bonds7

About 3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 91913356) has the molecular formula C19H25FN4O3S and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID91913356
Molecular FormulaC19H25FN4O3S
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)CCC1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C19H25FN4O3S/c1-14-16(12-22-23-14)11-21-19(25)8-7-15-4-3-9-24(13-15)28(26,27)18-6-2-5-17(20)10-18/h2,5-6,10,12,15H,3-4,7-9,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyLWGPUXQXPQYJRY-UHFFFAOYSA-N
XLogP2.35
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (CID 91913356) is 3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is Cc1[nH]ncc1CNC(=O)CCC1CCCN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of 3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is LWGPUXQXPQYJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3S/c1-14-16(12-22-23-14)11-21-19(25)8-7-15-4-3-9-24(13-15)28(26,27)18-6-2-5-17(20)10-18/h2,5-6,10,12,15H,3-4,7-9,11,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 408.50 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 91913356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).