(2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one

C20H34N2O — CID 124859177

IUPAC(2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[C@]2(CC=CCC2)C1
InChIInChI=1S/C20H34N2O/c1-16-9-7-10-17(2)22(16)19(23)18(3)21-14-8-13-20(15-21)11-5-4-6-12-20/h4-5,16-18H,6-15H2,1-3H3/t16-,17+,18-,20-/m1/s1
InChIKeyWTUXWCSSBUOUSE-AJYBTWMASA-N
MW318.51 g/mol
LogP3.99
Rot. Bonds2

About (2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one

(2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one (PubChem CID 124859177) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is (2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
PubChem CID124859177
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name(2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[C@]2(CC=CCC2)C1
InChIInChI=1S/C20H34N2O/c1-16-9-7-10-17(2)22(16)19(23)18(3)21-14-8-13-20(15-21)11-5-4-6-12-20/h4-5,16-18H,6-15H2,1-3H3/t16-,17+,18-,20-/m1/s1
InChIKeyWTUXWCSSBUOUSE-AJYBTWMASA-N
XLogP3.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one (CID 124859177) is (2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one is C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[C@]2(CC=CCC2)C1.
What is the InChIKey of (2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one?
The InChIKey is WTUXWCSSBUOUSE-AJYBTWMASA-N. The full InChI is InChI=1S/C20H34N2O/c1-16-9-7-10-17(2)22(16)19(23)18(3)21-14-8-13-20(15-21)11-5-4-6-12-20/h4-5,16-18H,6-15H2,1-3H3/t16-,17+,18-,20-/m1/s1.
What are the key properties of (2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one?
(2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one has a molecular weight of 318.51 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 124859177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).