[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone

C20H28N2O2 — CID 56896737

IUPAC[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CC2CCNCC2)c1)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C20H28N2O2/c23-19-12-17-4-5-18(13-19)22(17)20(24)16-3-1-2-15(11-16)10-14-6-8-21-9-7-14/h1-3,11,14,17-19,21,23H,4-10,12-13H2/t17-,18+,19?
InChIKeyXLFHPNPWBRIZPZ-DFNIBXOVSA-N
MW328.46 g/mol
LogP2.36
Rot. Bonds3

About [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone

[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone (PubChem CID 56896737) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone
PubChem CID56896737
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CC2CCNCC2)c1)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C20H28N2O2/c23-19-12-17-4-5-18(13-19)22(17)20(24)16-3-1-2-15(11-16)10-14-6-8-21-9-7-14/h1-3,11,14,17-19,21,23H,4-10,12-13H2/t17-,18+,19?
InChIKeyXLFHPNPWBRIZPZ-DFNIBXOVSA-N
XLogP2.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]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,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone?
The IUPAC name of [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone (CID 56896737) is [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone is O=C(c1cccc(CC2CCNCC2)c1)N1[C@@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone?
The InChIKey is XLFHPNPWBRIZPZ-DFNIBXOVSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19-12-17-4-5-18(13-19)22(17)20(24)16-3-1-2-15(11-16)10-14-6-8-21-9-7-14/h1-3,11,14,17-19,21,23H,4-10,12-13H2/t17-,18+,19?.
What are the key properties of [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone?
[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone has a molecular weight of 328.46 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[3-(piperidin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 56896737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).