N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C24H28F3N3O3S — CID 16545818

IUPACN-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H28F3N3O3S/c25-24(26,27)19-8-2-5-11-22(19)34(32,33)30-16-12-18(13-17-30)23(31)28-20-9-3-4-10-21(20)29-14-6-1-7-15-29/h2-5,8-11,18H,1,6-7,12-17H2,(H,28,31)
InChIKeyZGUYOVRCTZFHOQ-UHFFFAOYSA-N
MW495.57 g/mol
LogP4.74
Rot. Bonds5

About N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 16545818) has the molecular formula C24H28F3N3O3S and a molecular weight of 495.57 g/mol. Its IUPAC name is N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID16545818
Molecular FormulaC24H28F3N3O3S
Molecular Weight495.57 g/mol
Exact Mass495.18
IUPAC NameN-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H28F3N3O3S/c25-24(26,27)19-8-2-5-11-22(19)34(32,33)30-16-12-18(13-17-30)23(31)28-20-9-3-4-10-21(20)29-14-6-1-7-15-29/h2-5,8-11,18H,1,6-7,12-17H2,(H,28,31)
InChIKeyZGUYOVRCTZFHOQ-UHFFFAOYSA-N
XLogP4.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(Toluene-4-sulfonyl)-piperidine-4-carboxylic acid (2-piperidin-1-yl-phenyl)-amide
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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 16545818) is N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(Nc1ccccc1N1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is ZGUYOVRCTZFHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3S/c25-24(26,27)19-8-2-5-11-22(19)34(32,33)30-16-12-18(13-17-30)23(31)28-20-9-3-4-10-21(20)29-14-6-1-7-15-29/h2-5,8-11,18H,1,6-7,12-17H2,(H,28,31).
What are the key properties of N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 495.57 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16545818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).