[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone

C24H36N2O2 — CID 58497661

IUPAC[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone
SMILESCC(C)N1CCCC(C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1
InChIInChI=1S/C24H36N2O2/c1-16(2)25-12-7-8-17(15-25)22(28)26-13-11-24(5)19-9-6-10-20(27)18(19)14-21(26)23(24,3)4/h6,9-10,16-17,21,27H,7-8,11-15H2,1-5H3/t17?,21-,24+/m1/s1
InChIKeyIUIVAJXIQDQYAB-XYNUEBNRSA-N
MW384.56 g/mol
LogP3.95
Rot. Bonds2

About [(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone

[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone (PubChem CID 58497661) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is [(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone
PubChem CID58497661
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone
SMILESCC(C)N1CCCC(C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1
InChIInChI=1S/C24H36N2O2/c1-16(2)25-12-7-8-17(15-25)22(28)26-13-11-24(5)19-9-6-10-20(27)18(19)14-21(26)23(24,3)4/h6,9-10,16-17,21,27H,7-8,11-15H2,1-5H3/t17?,21-,24+/m1/s1
InChIKeyIUIVAJXIQDQYAB-XYNUEBNRSA-N
XLogP3.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone 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 [(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone?
The IUPAC name of [(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone (CID 58497661) is [(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone.
What is the SMILES notation for [(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone?
The canonical SMILES for [(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone is CC(C)N1CCCC(C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1.
What is the InChIKey of [(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone?
The InChIKey is IUIVAJXIQDQYAB-XYNUEBNRSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-16(2)25-12-7-8-17(15-25)22(28)26-13-11-24(5)19-9-6-10-20(27)18(19)14-21(26)23(24,3)4/h6,9-10,16-17,21,27H,7-8,11-15H2,1-5H3/t17?,21-,24+/m1/s1.
What are the key properties of [(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone?
[(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone has a molecular weight of 384.56 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,9R)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(1-propan-2-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 58497661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).