[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate

C15H20N2O2 — CID 144638928

IUPAC[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)O[C@H]1CN2CCC1CC2
InChIInChI=1S/C15H20N2O2/c18-15(16-10-12-4-2-1-3-5-12)19-14-11-17-8-6-13(14)7-9-17/h1-5,13-14H,6-11H2,(H,16,18)/t14-/m0/s1
InChIKeyPHJJZFIJIPPFBM-AWEZNQCLSA-N
MW260.34 g/mol
LogP2.01
Rot. Bonds3

About [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate

[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate (PubChem CID 144638928) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
PubChem CID144638928
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)O[C@H]1CN2CCC1CC2
InChIInChI=1S/C15H20N2O2/c18-15(16-10-12-4-2-1-3-5-12)19-14-11-17-8-6-13(14)7-9-17/h1-5,13-14H,6-11H2,(H,16,18)/t14-/m0/s1
InChIKeyPHJJZFIJIPPFBM-AWEZNQCLSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxycyclohexyl) N-benzylcarbamate
CID 174552580
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2S)-2-phenylcyclohexyl]carbamate
CID 59291234
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1S,2R)-2-phenylcyclohexyl]carbamate
CID 59291559
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
CID 67605836
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2,3-diphenylpropanoate
CID 66958912
(2-aminocyclohexyl) N-benzylcarbamate
CID 107654721
[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate
CID 175263184
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 59401102
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 59401188
[2-(methylamino)cyclohexyl] N-benzylcarbamate
CID 107654729
[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate
CID 66880105
1-azabicyclo[2.2.2]octan-3-yl furan-2-carboxylate
CID 3900634

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate?
The IUPAC name of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate (CID 144638928) is [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate.
What is the SMILES notation for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate?
The canonical SMILES for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate is O=C(NCc1ccccc1)O[C@H]1CN2CCC1CC2.
What is the InChIKey of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate?
The InChIKey is PHJJZFIJIPPFBM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(16-10-12-4-2-1-3-5-12)19-14-11-17-8-6-13(14)7-9-17/h1-5,13-14H,6-11H2,(H,16,18)/t14-/m0/s1.
What are the key properties of [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate?
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate has a molecular weight of 260.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate is sourced from PubChem (CID 144638928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).