1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone

C22H32N2O2 — CID 169450433

IUPAC1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCCOc1ccccc1C1CCN([C@@H]2CCC3(C2)CN(C(C)=O)C3)CC1
InChIInChI=1S/C22H32N2O2/c1-3-26-21-7-5-4-6-20(21)18-9-12-23(13-10-18)19-8-11-22(14-19)15-24(16-22)17(2)25/h4-7,18-19H,3,8-16H2,1-2H3/t19-/m1/s1
InChIKeyOXGXBTFDNVXKPX-LJQANCHMSA-N
MW356.51 g/mol
LogP3.67
Rot. Bonds4

About 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone

1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 169450433) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID169450433
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESCCOc1ccccc1C1CCN([C@@H]2CCC3(C2)CN(C(C)=O)C3)CC1
InChIInChI=1S/C22H32N2O2/c1-3-26-21-7-5-4-6-20(21)18-9-12-23(13-10-18)19-8-11-22(14-19)15-24(16-22)17(2)25/h4-7,18-19H,3,8-16H2,1-2H3/t19-/m1/s1
InChIKeyOXGXBTFDNVXKPX-LJQANCHMSA-N
XLogP3.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone (CID 169450433) is 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone is CCOc1ccccc1C1CCN([C@@H]2CCC3(C2)CN(C(C)=O)C3)CC1.
What is the InChIKey of 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is OXGXBTFDNVXKPX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-26-21-7-5-4-6-20(21)18-9-12-23(13-10-18)19-8-11-22(14-19)15-24(16-22)17(2)25/h4-7,18-19H,3,8-16H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone?
1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 356.51 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 169450433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).