tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate

C16H22F2N4O3 — CID 23084025

IUPACtert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2Cc3cnc(C(F)F)n3C2=O)CC1
InChIInChI=1S/C16H22F2N4O3/c1-16(2,3)25-15(24)20-6-4-10(5-7-20)21-9-11-8-19-13(12(17)18)22(11)14(21)23/h8,10,12H,4-7,9H2,1-3H3
InChIKeyPRSDBRYKGRFNAW-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.00
Rot. Bonds2

About tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate

tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (PubChem CID 23084025) has the molecular formula C16H22F2N4O3 and a molecular weight of 356.37 g/mol. Its IUPAC name is tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
PubChem CID23084025
Molecular FormulaC16H22F2N4O3
Molecular Weight356.37 g/mol
Exact Mass356.17
IUPAC Nametert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2Cc3cnc(C(F)F)n3C2=O)CC1
InChIInChI=1S/C16H22F2N4O3/c1-16(2,3)25-15(24)20-6-4-10(5-7-20)21-9-11-8-19-13(12(17)18)22(11)14(21)23/h8,10,12H,4-7,9H2,1-3H3
InChIKeyPRSDBRYKGRFNAW-UHFFFAOYSA-N
XLogP3.00
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-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-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (CID 23084025) is tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2Cc3cnc(C(F)F)n3C2=O)CC1.
What is the InChIKey of tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The InChIKey is PRSDBRYKGRFNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O3/c1-16(2,3)25-15(24)20-6-4-10(5-7-20)21-9-11-8-19-13(12(17)18)22(11)14(21)23/h8,10,12H,4-7,9H2,1-3H3.
What are the key properties of tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate has a molecular weight of 356.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 23084025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).