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

C17H26N4O3 — CID 23084249

IUPACtert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
SMILESCc1nc(C)n2c1CN(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O
InChIInChI=1S/C17H26N4O3/c1-11-14-10-20(15(22)21(14)12(2)18-11)13-6-8-19(9-7-13)16(23)24-17(3,4)5/h13H,6-10H2,1-5H3
InChIKeyNAULONARYAYUHJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.68
Rot. Bonds1

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

tert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate (PubChem CID 23084249) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
PubChem CID23084249
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
SMILESCc1nc(C)n2c1CN(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O
InChIInChI=1S/C17H26N4O3/c1-11-14-10-20(15(22)21(14)12(2)18-11)13-6-8-19(9-7-13)16(23)24-17(3,4)5/h13H,6-10H2,1-5H3
InChIKeyNAULONARYAYUHJ-UHFFFAOYSA-N
XLogP2.68
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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 2-cyano-3-(difluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 118614450
Tert-butyl 2-methyl-3-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 118614474
tert-butyl 2-[(Z)-C-aminocarbonohydrazonoyl]-3-(difluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 144979181
tert-butyl 3-(difluoromethyl)-2-(N'-methanimidoylcarbamimidoyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 144979551
tert-butyl 4-(5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
CID 23084046
tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
CID 23084100
tert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
CID 23084135
tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate
CID 23084191
1,3-dimethyl-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one
CID 23084270
tert-butyl 4-(((2,5-dimethyl-1H-imidazol-4-yl)methyl)amino)-1-piperidinecarboxylate
CID 23138170

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate (CID 23084249) is tert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate is Cc1nc(C)n2c1CN(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O.
What is the InChIKey of tert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The InChIKey is NAULONARYAYUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11-14-10-20(15(22)21(14)12(2)18-11)13-6-8-19(9-7-13)16(23)24-17(3,4)5/h13H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
tert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,3-dimethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23084249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).