(6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone

C25H29F3N2O4S — CID 25255595

IUPAC(6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C1CCN(C(=O)c2ccc(OC3CCC3)nc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H29F3N2O4S/c1-24(2,35(32,33)21-8-3-5-19(15-21)25(26,27)28)18-11-13-30(14-12-18)23(31)17-9-10-22(29-16-17)34-20-6-4-7-20/h3,5,8-10,15-16,18,20H,4,6-7,11-14H2,1-2H3
InChIKeyJLDLXQACGVNOOI-UHFFFAOYSA-N
MW510.58 g/mol
LogP5.14
Rot. Bonds6

About (6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone

(6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone (PubChem CID 25255595) has the molecular formula C25H29F3N2O4S and a molecular weight of 510.58 g/mol. Its IUPAC name is (6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
PubChem CID25255595
Molecular FormulaC25H29F3N2O4S
Molecular Weight510.58 g/mol
Exact Mass510.18
IUPAC Name(6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C1CCN(C(=O)c2ccc(OC3CCC3)nc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H29F3N2O4S/c1-24(2,35(32,33)21-8-3-5-19(15-21)25(26,27)28)18-11-13-30(14-12-18)23(31)17-9-10-22(29-16-17)34-20-6-4-7-20/h3,5,8-10,15-16,18,20H,4,6-7,11-14H2,1-2H3
InChIKeyJLDLXQACGVNOOI-UHFFFAOYSA-N
XLogP5.14
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.58
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone 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 (6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone (CID 25255595) is (6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone is CC(C)(C1CCN(C(=O)c2ccc(OC3CCC3)nc2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
The InChIKey is JLDLXQACGVNOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O4S/c1-24(2,35(32,33)21-8-3-5-19(15-21)25(26,27)28)18-11-13-30(14-12-18)23(31)17-9-10-22(29-16-17)34-20-6-4-7-20/h3,5,8-10,15-16,18,20H,4,6-7,11-14H2,1-2H3.
What are the key properties of (6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone?
(6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone has a molecular weight of 510.58 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclobutyloxy-3-pyridinyl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 25255595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).