4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid

C19H24F3N3O5S — CID 69166056

IUPAC4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(=O)N2CCC(NS(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C19H24F3N3O5S/c20-19(21,22)15-3-1-2-4-16(15)31(29,30)23-14-7-11-24(12-8-14)17(26)13-5-9-25(10-6-13)18(27)28/h1-4,13-14,23H,5-12H2,(H,27,28)
InChIKeyIEJBUNKPYCNYPB-UHFFFAOYSA-N
MW463.48 g/mol
LogP2.36
Rot. Bonds4

About 4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid

4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid (PubChem CID 69166056) has the molecular formula C19H24F3N3O5S and a molecular weight of 463.48 g/mol. Its IUPAC name is 4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid
PubChem CID69166056
Molecular FormulaC19H24F3N3O5S
Molecular Weight463.48 g/mol
Exact Mass463.14
IUPAC Name4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(=O)N2CCC(NS(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C19H24F3N3O5S/c20-19(21,22)15-3-1-2-4-16(15)31(29,30)23-14-7-11-24(12-8-14)17(26)13-5-9-25(10-6-13)18(27)28/h1-4,13-14,23H,5-12H2,(H,27,28)
InChIKeyIEJBUNKPYCNYPB-UHFFFAOYSA-N
XLogP2.36
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid (CID 69166056) is 4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(C(=O)N2CCC(NS(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid?
The InChIKey is IEJBUNKPYCNYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O5S/c20-19(21,22)15-3-1-2-4-16(15)31(29,30)23-14-7-11-24(12-8-14)17(26)13-5-9-25(10-6-13)18(27)28/h1-4,13-14,23H,5-12H2,(H,27,28).
What are the key properties of 4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid?
4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid has a molecular weight of 463.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69166056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).