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

C23H34N2O2 — CID 169494113

IUPAC1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]propan-1-one
SMILESCCOc1ccccc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)CC)C3)CC1
InChIInChI=1S/C23H34N2O2/c1-3-22(26)25-16-23(17-25)12-9-19(15-23)24-13-10-18(11-14-24)20-7-5-6-8-21(20)27-4-2/h5-8,18-19H,3-4,9-17H2,1-2H3/t19-/m1/s1
InChIKeyCXIFNIBTDFSMJP-LJQANCHMSA-N
MW370.54 g/mol
LogP4.06
Rot. Bonds5

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

1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]propan-1-one (PubChem CID 169494113) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]propan-1-one
PubChem CID169494113
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]propan-1-one
SMILESCCOc1ccccc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)CC)C3)CC1
InChIInChI=1S/C23H34N2O2/c1-3-22(26)25-16-23(17-25)12-9-19(15-23)24-13-10-18(11-14-24)20-7-5-6-8-21(20)27-4-2/h5-8,18-19H,3-4,9-17H2,1-2H3/t19-/m1/s1
InChIKeyCXIFNIBTDFSMJP-LJQANCHMSA-N
XLogP4.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.06
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]propan-1-one?
The IUPAC name of 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]propan-1-one (CID 169494113) is 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]propan-1-one.
What is the SMILES notation for 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]propan-1-one?
The canonical SMILES for 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]propan-1-one is CCOc1ccccc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)CC)C3)CC1.
What is the InChIKey of 1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]propan-1-one?
The InChIKey is CXIFNIBTDFSMJP-LJQANCHMSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-3-22(26)25-16-23(17-25)12-9-19(15-23)24-13-10-18(11-14-24)20-7-5-6-8-21(20)27-4-2/h5-8,18-19H,3-4,9-17H2,1-2H3/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]propan-1-one?
1-[(6R)-6-[4-(2-ethoxyphenyl)piperidin-1-yl]-2-azaspiro[3.4]octan-2-yl]propan-1-one has a molecular weight of 370.54 g/mol, XLogP of 4.06, 5 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]propan-1-one is sourced from PubChem (CID 169494113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).