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

C17H26N4O3 — CID 23138425

IUPACtert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate
SMILESCc1ncc2n1C(=O)N(CC1CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C17H26N4O3/c1-12-18-9-14-11-20(15(22)21(12)14)10-13-5-7-19(8-6-13)16(23)24-17(2,3)4/h9,13H,5-8,10-11H2,1-4H3
InChIKeyVAEANXFLOMQAFF-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.62
Rot. Bonds2

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

tert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate (PubChem CID 23138425) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate
PubChem CID23138425
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate
SMILESCc1ncc2n1C(=O)N(CC1CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C17H26N4O3/c1-12-18-9-14-11-20(15(22)21(12)14)10-13-5-7-19(8-6-13)16(23)24-17(2,3)4/h9,13H,5-8,10-11H2,1-4H3
InChIKeyVAEANXFLOMQAFF-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]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-(1-(2-(pyrrolidin-1-yl)ethyl)-4-(3,3,3-trifluoropropyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67112062
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 4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 118294854
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate (CID 23138425) is tert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate is Cc1ncc2n1C(=O)N(CC1CCN(C(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate?
The InChIKey is VAEANXFLOMQAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-18-9-14-11-20(15(22)21(12)14)10-13-5-7-19(8-6-13)16(23)24-17(2,3)4/h9,13H,5-8,10-11H2,1-4H3.
What are the key properties of tert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.62, 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-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 23138425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).