2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C13H17F3N2O2 — CID 103979604

IUPAC2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESO=C1C2CCCC2C(=O)N1C1CCC(C(F)(F)F)NC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)10-5-4-7(6-17-10)18-11(19)8-2-1-3-9(8)12(18)20/h7-10,17H,1-6H2
InChIKeyDOLZYLUMURNICH-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.45
Rot. Bonds1

About 2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103979604) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103979604
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESO=C1C2CCCC2C(=O)N1C1CCC(C(F)(F)F)NC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)10-5-4-7(6-17-10)18-11(19)8-2-1-3-9(8)12(18)20/h7-10,17H,1-6H2
InChIKeyDOLZYLUMURNICH-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione with MolForge

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Related Compounds

2-cyclopentyl-N-[1-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide
CID 97254994
3-{1,3-Dioxo-octahydrocyclopenta[c]pyrrol-2-yl}piperidine-2,6-dione
CID 103979919
(3S,3aS,6aR)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 168181779
(3S,3aS,6aR)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide
CID 168182416
N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrobromide
CID 175856085
(3S,3aS,6aR)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-6,6-difluoro-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;hydrochloride
CID 175856089
2-cyclopentyl-N-[1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide
CID 75398566
2-[6-(Trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione
CID 82793924
2-cyclopentyl-N-[1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide
CID 97254993
N-methyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891379
1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrol-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 102891399
N-butyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891753

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103979604) is 2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is O=C1C2CCCC2C(=O)N1C1CCC(C(F)(F)F)NC1.
What is the InChIKey of 2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is DOLZYLUMURNICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)10-5-4-7(6-17-10)18-11(19)8-2-1-3-9(8)12(18)20/h7-10,17H,1-6H2.
What are the key properties of 2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 290.29 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103979604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).