5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]

C22H27F3N2 — CID 23453756

IUPAC5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]
SMILESFC(F)(F)c1ccc(C2C3CCC(C3)C23CCC(N2CCCCC2)=N3)cc1
InChIInChI=1S/C22H27F3N2/c23-22(24,25)17-7-4-15(5-8-17)20-16-6-9-18(14-16)21(20)11-10-19(26-21)27-12-2-1-3-13-27/h4-5,7-8,16,18,20H,1-3,6,9-14H2
InChIKeyXGHMVUPLSOIUCC-UHFFFAOYSA-N
MW376.47 g/mol
LogP5.64
Rot. Bonds1

About 5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]

5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane] (PubChem CID 23453756) has the molecular formula C22H27F3N2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]
PubChem CID23453756
Molecular FormulaC22H27F3N2
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC Name5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]
SMILESFC(F)(F)c1ccc(C2C3CCC(C3)C23CCC(N2CCCCC2)=N3)cc1
InChIInChI=1S/C22H27F3N2/c23-22(24,25)17-7-4-15(5-8-17)20-16-6-9-18(14-16)21(20)11-10-19(26-21)27-12-2-1-3-13-27/h4-5,7-8,16,18,20H,1-3,6,9-14H2
InChIKeyXGHMVUPLSOIUCC-UHFFFAOYSA-N
XLogP5.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane] 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 5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]?
The IUPAC name of 5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane] (CID 23453756) is 5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane].
What is the SMILES notation for 5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]?
The canonical SMILES for 5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane] is FC(F)(F)c1ccc(C2C3CCC(C3)C23CCC(N2CCCCC2)=N3)cc1.
What is the InChIKey of 5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]?
The InChIKey is XGHMVUPLSOIUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2/c23-22(24,25)17-7-4-15(5-8-17)20-16-6-9-18(14-16)21(20)11-10-19(26-21)27-12-2-1-3-13-27/h4-5,7-8,16,18,20H,1-3,6,9-14H2.
What are the key properties of 5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]?
5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane] has a molecular weight of 376.47 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 23453756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).