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

C16H23FN4O3 — CID 23084127

IUPACtert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2Cc3cnc(CF)n3C2=O)CC1
InChIInChI=1S/C16H23FN4O3/c1-16(2,3)24-15(23)19-6-4-11(5-7-19)20-10-12-9-18-13(8-17)21(12)14(20)22/h9,11H,4-8,10H2,1-3H3
InChIKeyBGGANVVUPRKEMB-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.54
Rot. Bonds2

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

tert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (PubChem CID 23084127) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is tert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
PubChem CID23084127
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC Nametert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2Cc3cnc(CF)n3C2=O)CC1
InChIInChI=1S/C16H23FN4O3/c1-16(2,3)24-15(23)19-6-4-11(5-7-19)20-10-12-9-18-13(8-17)21(12)14(20)22/h9,11H,4-8,10H2,1-3H3
InChIKeyBGGANVVUPRKEMB-UHFFFAOYSA-N
XLogP2.54
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 134792697
N-cyclopentyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxamide
CID 134792868
tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 97160520
tert-butyl 4-[3-(difluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 23084025
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 57518450
tert-butyl 4-(4-(trifluoromethyl)-1-(2-pyrrolidin-1-ylethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67954292
tert-butyl 4-(5-(trifluoromethyl)-1-(2-pyrrolidin-1-ylethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67955124
Tert-butyl 4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 117867261
Tert-butyl 1-[5-(trifluoromethyl)pyrazin-2-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate
CID 135285351
Tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
CID 139571105
Tert-butyl 4-[4-[(dimethylamino)methyl]-2-(3,3,3-trifluoropropyl)imidazol-1-yl]piperidine-1-carboxylate
CID 146631909
Tert-butyl 3-fluoro-4-[methyl-(4-methylimidazole-1-carbonyl)amino]pyrrolidine-1-carboxylate
CID 176331995

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (CID 23084127) is tert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2Cc3cnc(CF)n3C2=O)CC1.
What is the InChIKey of tert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The InChIKey is BGGANVVUPRKEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-16(2,3)24-15(23)19-6-4-11(5-7-19)20-10-12-9-18-13(8-17)21(12)14(20)22/h9,11H,4-8,10H2,1-3H3.
What are the key properties of tert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate has a molecular weight of 338.38 g/mol, XLogP of 2.54, 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-(fluoromethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 23084127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).