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

C17H26N4O3 — CID 23084100

IUPACtert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
SMILESCCc1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C17H26N4O3/c1-5-14-18-10-13-11-20(15(22)21(13)14)12-6-8-19(9-7-12)16(23)24-17(2,3)4/h10,12H,5-9,11H2,1-4H3
InChIKeyXUHAWELIGGBMRK-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.63
Rot. Bonds2

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

tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate (PubChem CID 23084100) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
PubChem CID23084100
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
SMILESCCc1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C17H26N4O3/c1-5-14-18-10-13-11-20(15(22)21(13)14)12-6-8-19(9-7-12)16(23)24-17(2,3)4/h10,12H,5-9,11H2,1-4H3
InChIKeyXUHAWELIGGBMRK-UHFFFAOYSA-N
XLogP2.63
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(3-ethyl-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
(5S)-4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,2,5-trimethylmorpholine
CID 137956213
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 3-amino-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 129972532
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 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
CID 139571105
Tert-butyl 4-[4-[(dimethylamino)methyl]-2-(3,3,3-trifluoropropyl)imidazol-1-yl]piperidine-1-carboxylate
CID 146631909

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate (CID 23084100) is tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate is CCc1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
The InChIKey is XUHAWELIGGBMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-14-18-10-13-11-20(15(22)21(13)14)12-6-8-19(9-7-12)16(23)24-17(2,3)4/h10,12H,5-9,11H2,1-4H3.
What are the key properties of tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-ethyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23084100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).