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

C17H26N4O3 — CID 23084135

IUPACtert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
SMILESCc1ncc2n1C(=O)N(C1(C)CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C17H26N4O3/c1-12-18-10-13-11-20(14(22)21(12)13)17(5)6-8-19(9-7-17)15(23)24-16(2,3)4/h10H,6-9,11H2,1-5H3
InChIKeyAOQTXAWJVMBZFK-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.76
Rot. Bonds1

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

tert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate (PubChem CID 23084135) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
PubChem CID23084135
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
SMILESCc1ncc2n1C(=O)N(C1(C)CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C17H26N4O3/c1-12-18-10-13-11-20(14(22)21(12)13)17(5)6-8-19(9-7-17)15(23)24-16(2,3)4/h10H,6-9,11H2,1-5H3
InChIKeyAOQTXAWJVMBZFK-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-methyl-4-(3-methyl-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
Tert-butyl 4-[5-(fluoromethyl)-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl]piperidine-1-carboxylate
CID 23084127
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 4-[4-[(dimethylamino)methyl]-2-(3,3,3-trifluoropropyl)imidazol-1-yl]piperidine-1-carboxylate
CID 146631909
7-[(1-isopropyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56902043
7-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56910193

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate (CID 23084135) is tert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate is Cc1ncc2n1C(=O)N(C1(C)CCN(C(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The InChIKey is AOQTXAWJVMBZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-18-10-13-11-20(14(22)21(12)13)17(5)6-8-19(9-7-17)15(23)24-16(2,3)4/h10H,6-9,11H2,1-5H3.
What are the key properties of tert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
tert-butyl 4-methyl-4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.76, 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-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23084135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).