tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate

C16H24N4O3 — CID 23084191

IUPACtert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate
SMILESCc1cn2c(n1)CN(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O
InChIInChI=1S/C16H24N4O3/c1-11-9-20-13(17-11)10-19(14(20)21)12-5-7-18(8-6-12)15(22)23-16(2,3)4/h9,12H,5-8,10H2,1-4H3
InChIKeyPOQSMLWGUABWNX-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.37
Rot. Bonds1

About tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate

tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate (PubChem CID 23084191) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate
PubChem CID23084191
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Nametert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate
SMILESCc1cn2c(n1)CN(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O
InChIInChI=1S/C16H24N4O3/c1-11-9-20-13(17-11)10-19(14(20)21)12-5-7-18(8-6-12)15(22)23-16(2,3)4/h9,12H,5-8,10H2,1-4H3
InChIKeyPOQSMLWGUABWNX-UHFFFAOYSA-N
XLogP2.37
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate (CID 23084191) is tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate is Cc1cn2c(n1)CN(C1CCN(C(=O)OC(C)(C)C)CC1)C2=O.
What is the InChIKey of tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate?
The InChIKey is POQSMLWGUABWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-9-20-13(17-11)10-19(14(20)21)12-5-7-18(8-6-12)15(22)23-16(2,3)4/h9,12H,5-8,10H2,1-4H3.
What are the key properties of tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23084191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).