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

C14H19F3N2O2 — CID 114392412

IUPAC5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(C3CCC(C(F)(F)F)NC3)C(=O)C2C1
InChIInChI=1S/C14H19F3N2O2/c1-7-4-9-10(5-7)13(21)19(12(9)20)8-2-3-11(18-6-8)14(15,16)17/h7-11,18H,2-6H2,1H3
InChIKeyBGELMYVSNDZVAJ-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.70
Rot. Bonds1

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

5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114392412) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114392412
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(C3CCC(C(F)(F)F)NC3)C(=O)C2C1
InChIInChI=1S/C14H19F3N2O2/c1-7-4-9-10(5-7)13(21)19(12(9)20)8-2-3-11(18-6-8)14(15,16)17/h7-11,18H,2-6H2,1H3
InChIKeyBGELMYVSNDZVAJ-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
2-[6-(Trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione
CID 82793924
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
N-propyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891756
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891772
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891777
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891785
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891790
1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrol-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 102892506
N-ethyl-N-(2,2,2-trifluoroethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892787

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114392412) is 5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC1CC2C(=O)N(C3CCC(C(F)(F)F)NC3)C(=O)C2C1.
What is the InChIKey of 5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is BGELMYVSNDZVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-7-4-9-10(5-7)13(21)19(12(9)20)8-2-3-11(18-6-8)14(15,16)17/h7-11,18H,2-6H2,1H3.
What are the key properties of 5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 304.31 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114392412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).