[(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate

C22H32N2O3 — CID 6968253

IUPAC[(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OC1C[C@@H]2CC[C@@H](C1)N2CCc1ccccc1
InChIInChI=1S/C22H32N2O3/c25-22(9-10-23-12-14-26-15-13-23)27-21-16-19-6-7-20(17-21)24(19)11-8-18-4-2-1-3-5-18/h1-5,19-21H,6-17H2/t19-,20-/m0/s1
InChIKeyFLPWWDUXBVQDEG-PMACEKPBSA-N
MW372.51 g/mol
LogP2.49
Rot. Bonds7

About [(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate

[(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate (PubChem CID 6968253) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is [(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name[(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate
PubChem CID6968253
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name[(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OC1C[C@@H]2CC[C@@H](C1)N2CCc1ccccc1
InChIInChI=1S/C22H32N2O3/c25-22(9-10-23-12-14-26-15-13-23)27-21-16-19-6-7-20(17-21)24(19)11-8-18-4-2-1-3-5-18/h1-5,19-21H,6-17H2/t19-,20-/m0/s1
InChIKeyFLPWWDUXBVQDEG-PMACEKPBSA-N
XLogP2.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,5S)-8-(4-cyanonaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate
CID 69225104
methane;4-(2-phenylethyl)morpholine
CID 143698819
phenyl 3-morpholin-4-ylpropanoate
CID 12036172
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(4-methylpiperazin-1-yl)propanoate
CID 899972
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
CID 134843861
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] carbonochloridate;hydrochloride
CID 14762758
N-benzyl-3-morpholin-4-yl-N-propan-2-ylpropanamide
CID 110688462
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740307
cyclododecyl 4-phenylbutanoate
CID 23159480

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate?
The IUPAC name of [(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate (CID 6968253) is [(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate.
What is the SMILES notation for [(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate?
The canonical SMILES for [(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate is O=C(CCN1CCOCC1)OC1C[C@@H]2CC[C@@H](C1)N2CCc1ccccc1.
What is the InChIKey of [(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate?
The InChIKey is FLPWWDUXBVQDEG-PMACEKPBSA-N. The full InChI is InChI=1S/C22H32N2O3/c25-22(9-10-23-12-14-26-15-13-23)27-21-16-19-6-7-20(17-21)24(19)11-8-18-4-2-1-3-5-18/h1-5,19-21H,6-17H2/t19-,20-/m0/s1.
What are the key properties of [(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate?
[(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate has a molecular weight of 372.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 6968253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).