ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione

C17H29F3N2O2 — CID 156792533

IUPACethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCC.CCCC1C(=O)N(CC2CCNCC2C(F)(F)F)C(=O)C1C
InChIInChI=1S/C15H23F3N2O2.C2H6/c1-3-4-11-9(2)13(21)20(14(11)22)8-10-5-6-19-7-12(10)15(16,17)18;1-2/h9-12,19H,3-8H2,1-2H3;1-2H3
InChIKeyHSMJOZWRVCIJIW-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.22
Rot. Bonds4

About ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione

ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 156792533) has the molecular formula C17H29F3N2O2 and a molecular weight of 350.43 g/mol. Its IUPAC name is ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione
PubChem CID156792533
Molecular FormulaC17H29F3N2O2
Molecular Weight350.43 g/mol
Exact Mass350.22
IUPAC Nameethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCC.CCCC1C(=O)N(CC2CCNCC2C(F)(F)F)C(=O)C1C
InChIInChI=1S/C15H23F3N2O2.C2H6/c1-3-4-11-9(2)13(21)20(14(11)22)8-10-5-6-19-7-12(10)15(16,17)18;1-2/h9-12,19H,3-8H2,1-2H3;1-2H3
InChIKeyHSMJOZWRVCIJIW-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-[(3-methylpiperidin-4-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114700534
4,7-dimethyl-2-[(3-methylpiperidin-4-yl)methyl]isoindole-1,3-dione
CID 103430492
tert-butyl N-[[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634256
2-(3-propylpiperidin-4-yl)acetic acid
CID 84660229
3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 79320434
(3aR,7aR)-2-(cyclopropylmethyl)-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-1,3-dione
CID 129493814
ethane;4-propylpiperidine
CID 142071399
2-(pyrrolidin-3-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 80563899
(3S,4S)-4-ethylpiperidin-3-ol
CID 96732602
4,4-dimethyl-2-[(4-methylpiperidin-3-yl)methyl]-1,1-dioxothiazetidin-3-one
CID 114956280
[(3R,4S)-4-propylpiperidin-3-yl] benzoate
CID 10681954
ethyl (4R)-4-propylpiperidine-3-carboxylate
CID 121479190

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione (CID 156792533) is ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione is CC.CCCC1C(=O)N(CC2CCNCC2C(F)(F)F)C(=O)C1C.
What is the InChIKey of ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is HSMJOZWRVCIJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O2.C2H6/c1-3-4-11-9(2)13(21)20(14(11)22)8-10-5-6-19-7-12(10)15(16,17)18;1-2/h9-12,19H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione?
ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 350.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-propyl-1-[[3-(trifluoromethyl)piperidin-4-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 156792533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).