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

C15H22N4O3 — CID 23084046

IUPACtert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2Cc3cncn3C2=O)CC1
InChIInChI=1S/C15H22N4O3/c1-15(2,3)22-14(21)17-6-4-11(5-7-17)18-9-12-8-16-10-19(12)13(18)20/h8,10-11H,4-7,9H2,1-3H3
InChIKeyRMUZOAAZXOQTRS-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.07
Rot. Bonds1

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

tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate (PubChem CID 23084046) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
PubChem CID23084046
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nametert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2Cc3cncn3C2=O)CC1
InChIInChI=1S/C15H22N4O3/c1-15(2,3)22-14(21)17-6-4-11(5-7-17)18-9-12-8-16-10-19(12)13(18)20/h8,10-11H,4-7,9H2,1-3H3
InChIKeyRMUZOAAZXOQTRS-UHFFFAOYSA-N
XLogP2.07
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(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

Related Compounds

tert-Butyl 3-bromo-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate
CID 70700366
tert-butyl 3-amino-5H,6H,7H,8H-imidazo(1,5-a)pyrazine-7-carboxylate hydrochloride
CID 165589107
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
Tert-butyl 4-[5-(fluoromethyl)-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl]piperidine-1-carboxylate
CID 23084127
tert-butyl 3-amino-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 129972532
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
tert-butyl (3R,4R)-3-fluoro-4-[methyl-(4-methylimidazole-1-carbonyl)amino]pyrrolidine-1-carboxylate
CID 178955630
ethyl 4-{[(1-isobutyl-1H-imidazol-5-yl)methyl]amino}piperidine-1-carboxylate
CID 50970995

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate (CID 23084046) is tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2Cc3cncn3C2=O)CC1.
What is the InChIKey of tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The InChIKey is RMUZOAAZXOQTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-15(2,3)22-14(21)17-6-4-11(5-7-17)18-9-12-8-16-10-19(12)13(18)20/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23084046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).