4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C13H19F3N2O3 — CID 80702974

IUPAC4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC1(O)CCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)CC1
InChIInChI=1S/C13H19F3N2O3/c1-12(21)2-4-17(5-3-12)11(20)9-6-10(19)18(7-9)8-13(14,15)16/h9,21H,2-8H2,1H3
InChIKeyZBKPOCRFSHXZJB-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.77
Rot. Bonds2

About 4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 80702974) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID80702974
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC1(O)CCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)CC1
InChIInChI=1S/C13H19F3N2O3/c1-12(21)2-4-17(5-3-12)11(20)9-6-10(19)18(7-9)8-13(14,15)16/h9,21H,2-8H2,1H3
InChIKeyZBKPOCRFSHXZJB-UHFFFAOYSA-N
XLogP0.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 80702974) is 4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC1(O)CCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)CC1.
What is the InChIKey of 4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is ZBKPOCRFSHXZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c1-12(21)2-4-17(5-3-12)11(20)9-6-10(19)18(7-9)8-13(14,15)16/h9,21H,2-8H2,1H3.
What are the key properties of 4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 308.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-methylpiperidine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 80702974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).