N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C19H21F3N4O3S — CID 86969259

IUPACN-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCN(Cc1cnccn1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H21F3N4O3S/c1-25(13-15-12-23-8-9-24-15)18(27)14-6-10-26(11-7-14)30(28,29)17-5-3-2-4-16(17)19(20,21)22/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3
InChIKeyHVPIWUXEPOTXDY-UHFFFAOYSA-N
MW442.46 g/mol
LogP2.55
Rot. Bonds5

About N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 86969259) has the molecular formula C19H21F3N4O3S and a molecular weight of 442.46 g/mol. Its IUPAC name is N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID86969259
Molecular FormulaC19H21F3N4O3S
Molecular Weight442.46 g/mol
Exact Mass442.13
IUPAC NameN-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCN(Cc1cnccn1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H21F3N4O3S/c1-25(13-15-12-23-8-9-24-15)18(27)14-6-10-26(11-7-14)30(28,29)17-5-3-2-4-16(17)19(20,21)22/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3
InChIKeyHVPIWUXEPOTXDY-UHFFFAOYSA-N
XLogP2.55
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 86969259) is N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is CN(Cc1cnccn1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is HVPIWUXEPOTXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3S/c1-25(13-15-12-23-8-9-24-15)18(27)14-6-10-26(11-7-14)30(28,29)17-5-3-2-4-16(17)19(20,21)22/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3.
What are the key properties of N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 442.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 86969259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).