4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide

C19H25FN4O3S — CID 122430424

IUPAC4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(C(C)(C)S(=O)(=O)c3cccc(F)c3)CC2)cn1
InChIInChI=1S/C19H25FN4O3S/c1-19(2,28(26,27)17-6-4-5-15(20)11-17)14-7-9-24(10-8-14)18(25)22-16-12-21-23(3)13-16/h4-6,11-14H,7-10H2,1-3H3,(H,22,25)
InChIKeyVSQJMCBROPCREM-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.06
Rot. Bonds4

About 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide

4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 122430424) has the molecular formula C19H25FN4O3S and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
PubChem CID122430424
Molecular FormulaC19H25FN4O3S
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(C(C)(C)S(=O)(=O)c3cccc(F)c3)CC2)cn1
InChIInChI=1S/C19H25FN4O3S/c1-19(2,28(26,27)17-6-4-5-15(20)11-17)14-7-9-24(10-8-14)18(25)22-16-12-21-23(3)13-16/h4-6,11-14H,7-10H2,1-3H3,(H,22,25)
InChIKeyVSQJMCBROPCREM-UHFFFAOYSA-N
XLogP3.06
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide (CID 122430424) is 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide is Cn1cc(NC(=O)N2CCC(C(C)(C)S(=O)(=O)c3cccc(F)c3)CC2)cn1.
What is the InChIKey of 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is VSQJMCBROPCREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3S/c1-19(2,28(26,27)17-6-4-5-15(20)11-17)14-7-9-24(10-8-14)18(25)22-16-12-21-23(3)13-16/h4-6,11-14H,7-10H2,1-3H3,(H,22,25).
What are the key properties of 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122430424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).