tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate

C15H21F2N3O3 — CID 163237830

IUPACtert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(F)C(c2c[nH]c(=O)c(N)c2)C1
InChIInChI=1S/C15H21F2N3O3/c1-14(2,3)23-13(22)20-5-4-15(16,17)10(8-20)9-6-11(18)12(21)19-7-9/h6-7,10H,4-5,8,18H2,1-3H3,(H,19,21)
InChIKeySPUAEHLITJRYSF-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.32
Rot. Bonds1

About tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate

tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate (PubChem CID 163237830) has the molecular formula C15H21F2N3O3 and a molecular weight of 329.35 g/mol. Its IUPAC name is tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate
PubChem CID163237830
Molecular FormulaC15H21F2N3O3
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Nametert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(F)C(c2c[nH]c(=O)c(N)c2)C1
InChIInChI=1S/C15H21F2N3O3/c1-14(2,3)23-13(22)20-5-4-15(16,17)10(8-20)9-6-11(18)12(21)19-7-9/h6-7,10H,4-5,8,18H2,1-3H3,(H,19,21)
InChIKeySPUAEHLITJRYSF-UHFFFAOYSA-N
XLogP2.32
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-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 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate (CID 163237830) is tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(F)C(c2c[nH]c(=O)c(N)c2)C1.
What is the InChIKey of tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate?
The InChIKey is SPUAEHLITJRYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O3/c1-14(2,3)23-13(22)20-5-4-15(16,17)10(8-20)9-6-11(18)12(21)19-7-9/h6-7,10H,4-5,8,18H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate?
tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate is sourced from PubChem (CID 163237830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).