N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C22H24F3N3O3S — CID 55408979

IUPACN-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C22H24F3N3O3S/c23-22(24,25)19-6-1-2-7-20(19)32(30,31)27-13-10-16(11-14-27)21(29)28(18-8-9-18)15-17-5-3-4-12-26-17/h1-7,12,16,18H,8-11,13-15H2
InChIKeyKERAFPOGVPLINI-UHFFFAOYSA-N
MW467.51 g/mol
LogP3.69
Rot. Bonds6

About N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 55408979) has the molecular formula C22H24F3N3O3S and a molecular weight of 467.51 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID55408979
Molecular FormulaC22H24F3N3O3S
Molecular Weight467.51 g/mol
Exact Mass467.15
IUPAC NameN-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C22H24F3N3O3S/c23-22(24,25)19-6-1-2-7-20(19)32(30,31)27-13-10-16(11-14-27)21(29)28(18-8-9-18)15-17-5-3-4-12-26-17/h1-7,12,16,18H,8-11,13-15H2
InChIKeyKERAFPOGVPLINI-UHFFFAOYSA-N
XLogP3.69
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide 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 N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 55408979) is N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N(Cc1ccccn1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is KERAFPOGVPLINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3S/c23-22(24,25)19-6-1-2-7-20(19)32(30,31)27-13-10-16(11-14-27)21(29)28(18-8-9-18)15-17-5-3-4-12-26-17/h1-7,12,16,18H,8-11,13-15H2.
What are the key properties of N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 467.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55408979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).