tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate

C15H25FN2O4 — CID 168701775

IUPACtert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(CN2CC(O)CC2=O)CC1
InChIInChI=1S/C15H25FN2O4/c1-14(2,3)22-13(21)17-6-4-15(16,5-7-17)10-18-9-11(19)8-12(18)20/h11,19H,4-10H2,1-3H3
InChIKeyFKDVSIMRUNGURP-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.32
Rot. Bonds2

About tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate

tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 168701775) has the molecular formula C15H25FN2O4 and a molecular weight of 316.37 g/mol. Its IUPAC name is tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate
PubChem CID168701775
Molecular FormulaC15H25FN2O4
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Nametert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(CN2CC(O)CC2=O)CC1
InChIInChI=1S/C15H25FN2O4/c1-14(2,3)22-13(21)17-6-4-15(16,5-7-17)10-18-9-11(19)8-12(18)20/h11,19H,4-10H2,1-3H3
InChIKeyFKDVSIMRUNGURP-UHFFFAOYSA-N
XLogP1.32
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate (CID 168701775) is tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(CN2CC(O)CC2=O)CC1.
What is the InChIKey of tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is FKDVSIMRUNGURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O4/c1-14(2,3)22-13(21)17-6-4-15(16,5-7-17)10-18-9-11(19)8-12(18)20/h11,19H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 316.37 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-fluoro-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 168701775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).