tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate

C15H25N3O3 — CID 68570559

IUPACtert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate
SMILESCOc1cn(C)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)21-14(19)18-8-6-11(7-9-18)13-16-12(20-5)10-17(13)4/h10-11H,6-9H2,1-5H3
InChIKeyCUYZJQXLOFJDMQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.54
Rot. Bonds2

About tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate (PubChem CID 68570559) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate
PubChem CID68570559
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate
SMILESCOc1cn(C)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)21-14(19)18-8-6-11(7-9-18)13-16-12(20-5)10-17(13)4/h10-11H,6-9H2,1-5H3
InChIKeyCUYZJQXLOFJDMQ-UHFFFAOYSA-N
XLogP2.54
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine-1-carboxylate
CID 89442949
tert-butyl 4-[4-iodo-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 67112018
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate
CID 177057091
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 67460578
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylate
CID 67130835

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate (CID 68570559) is tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate is COc1cn(C)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate?
The InChIKey is CUYZJQXLOFJDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-15(2,3)21-14(19)18-8-6-11(7-9-18)13-16-12(20-5)10-17(13)4/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 68570559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).