tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate

C16H26FN3O4 — CID 168695969

IUPACtert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(CN2CC(C(N)=O)CC2=O)CC1
InChIInChI=1S/C16H26FN3O4/c1-15(2,3)24-14(23)19-6-4-16(17,5-7-19)10-20-9-11(13(18)22)8-12(20)21/h11H,4-10H2,1-3H3,(H2,18,22)
InChIKeyGDARIYBKQBQJGJ-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.06
Rot. Bonds3

About tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate

tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate (PubChem CID 168695969) has the molecular formula C16H26FN3O4 and a molecular weight of 343.40 g/mol. Its IUPAC name is tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate
PubChem CID168695969
Molecular FormulaC16H26FN3O4
Molecular Weight343.40 g/mol
Exact Mass343.19
IUPAC Nametert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(CN2CC(C(N)=O)CC2=O)CC1
InChIInChI=1S/C16H26FN3O4/c1-15(2,3)24-14(23)19-6-4-16(17,5-7-19)10-20-9-11(13(18)22)8-12(20)21/h11H,4-10H2,1-3H3,(H2,18,22)
InChIKeyGDARIYBKQBQJGJ-UHFFFAOYSA-N
XLogP1.06
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate (CID 168695969) is tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(CN2CC(C(N)=O)CC2=O)CC1.
What is the InChIKey of tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate?
The InChIKey is GDARIYBKQBQJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O4/c1-15(2,3)24-14(23)19-6-4-16(17,5-7-19)10-20-9-11(13(18)22)8-12(20)21/h11H,4-10H2,1-3H3,(H2,18,22).
What are the key properties of tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate?
tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-carbamoyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 168695969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).