tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

C21H34N4O2 — CID 118303221

IUPACtert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
SMILESCn1ccnc1C1CCN(C2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1
InChIInChI=1S/C21H34N4O2/c1-20(2,3)27-19(26)25-11-7-21(15-25)13-17(14-21)24-9-5-16(6-10-24)18-22-8-12-23(18)4/h8,12,16-17H,5-7,9-11,13-15H2,1-4H3
InChIKeyWRSTWLSHZHLDCK-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.39
Rot. Bonds2

About tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 118303221) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
PubChem CID118303221
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Nametert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
SMILESCn1ccnc1C1CCN(C2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1
InChIInChI=1S/C21H34N4O2/c1-20(2,3)27-19(26)25-11-7-21(15-25)13-17(14-21)24-9-5-16(6-10-24)18-22-8-12-23(18)4/h8,12,16-17H,5-7,9-11,13-15H2,1-4H3
InChIKeyWRSTWLSHZHLDCK-UHFFFAOYSA-N
XLogP3.39
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate with MolForge

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Related Compounds

ethyl 2-[4-[1-[2-(methylamino)-2-oxoethyl]imidazol-2-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118294729
ethyl 2-[4-(1,5-dimethylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295196
tert-butyl 6-(5-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 162746105
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
ethyl 2-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295269
tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 176911912
tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 68969463
2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144853
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
ethyl 2-[4-(3-hydroxy-2-pyridinyl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118294937
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
CID 56962195

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
The IUPAC name of tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate (CID 118303221) is tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
The canonical SMILES for tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate is Cn1ccnc1C1CCN(C2CC3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1.
What is the InChIKey of tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
The InChIKey is WRSTWLSHZHLDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-20(2,3)27-19(26)25-11-7-21(15-25)13-17(14-21)24-9-5-16(6-10-24)18-22-8-12-23(18)4/h8,12,16-17H,5-7,9-11,13-15H2,1-4H3.
What are the key properties of tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 374.53 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 118303221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).