tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate

C17H28N4O3 — CID 66852827

IUPACtert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
SMILESCN1C=C2C(=O)N(C3(C)CCN(C(=O)OC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C17H28N4O3/c1-16(2,3)24-15(23)19-8-6-17(4,7-9-19)21-12-20-11-18(5)10-13(20)14(21)22/h10H,6-9,11-12H2,1-5H3
InChIKeyNPYIPJORRMGBKS-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.62
Rot. Bonds1

About tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate

tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate (PubChem CID 66852827) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
PubChem CID66852827
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Nametert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
SMILESCN1C=C2C(=O)N(C3(C)CCN(C(=O)OC(C)(C)C)CC3)CN2C1
InChIInChI=1S/C17H28N4O3/c1-16(2,3)24-15(23)19-8-6-17(4,7-9-19)21-12-20-11-18(5)10-13(20)14(21)22/h10H,6-9,11-12H2,1-5H3
InChIKeyNPYIPJORRMGBKS-UHFFFAOYSA-N
XLogP1.62
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-4-methylpiperidine-1-carboxylate
CID 168506872
tert-butyl 4,4-dimethyl-5-oxoazepane-1-carboxylate
CID 118230377
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4,4-dimethyl-3-oxopiperidine-1-carboxylate
CID 86276531
tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 160805551
4-(2,5-dioxopyrrol-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 134249561
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 151169776
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 3-carbonochloridoyl-3,9-diazaspiro[5.5]undecane-9-carboxylate
CID 142473443

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate (CID 66852827) is tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate is CN1C=C2C(=O)N(C3(C)CCN(C(=O)OC(C)(C)C)CC3)CN2C1.
What is the InChIKey of tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The InChIKey is NPYIPJORRMGBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-16(2,3)24-15(23)19-8-6-17(4,7-9-19)21-12-20-11-18(5)10-13(20)14(21)22/h10H,6-9,11-12H2,1-5H3.
What are the key properties of tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 66852827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).