[(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate

C22H25NO2 — CID 71450948

IUPAC[(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate
SMILESCN1CC2CC1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m1/s1
InChIKeyGVNGZGPVJXWAOP-RRWXTXHCSA-N
MW335.45 g/mol
LogP3.63
Rot. Bonds4

About [(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate

[(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate (PubChem CID 71450948) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate.

Molecular Properties

Compound Name[(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate
PubChem CID71450948
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name[(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate
SMILESCN1CC2CC1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m1/s1
InChIKeyGVNGZGPVJXWAOP-RRWXTXHCSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidolate
CID 4839
Piperidolate Hydrochloride
CID 8520
Dioxaphetyl Butyrate
CID 48194
D-104 (FDA NDC: 58264-0110)
CID 3014059
4-((2,2-Diphenylacetyl)oxy)-1,1-dimethylpiperidinium
CID 1734
Properidine
CID 62373
Azaprophen
CID 129486
Pentapiperide
CID 110942
[(3S)-6-methyl-6-azabicyclo[3.2.1]octan-3-yl] 2,2-diphenylpropanoate
CID 15599352
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-phenylpropanoate
CID 24758141
(1,1-Dimethylpiperidin-1-ium-4-yl) 1-phenylcycloheptane-1-carboxylate
CID 69167248
Pheneridine
CID 3029031

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate?
The IUPAC name of [(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate (CID 71450948) is [(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate.
What is the SMILES notation for [(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate?
The canonical SMILES for [(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate is CN1CC2CC1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate?
The InChIKey is GVNGZGPVJXWAOP-RRWXTXHCSA-N. The full InChI is InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m1/s1.
What are the key properties of [(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate?
[(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate has a molecular weight of 335.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl] 2,2-diphenylpropanoate is sourced from PubChem (CID 71450948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).