3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

C22H36N2O2 — CID 25365428

IUPAC3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC1(C)[C@H]2CC=C(CN3CCC(CCC(=O)N4CCOCC4)CC3)[C@@H]1C2
InChIInChI=1S/C22H36N2O2/c1-22(2)19-5-4-18(20(22)15-19)16-23-9-7-17(8-10-23)3-6-21(25)24-11-13-26-14-12-24/h4,17,19-20H,3,5-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyFZWWHXMGTBVLGR-PMACEKPBSA-N
MW360.54 g/mol
LogP3.33
Rot. Bonds5

About 3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 25365428) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID25365428
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC1(C)[C@H]2CC=C(CN3CCC(CCC(=O)N4CCOCC4)CC3)[C@@H]1C2
InChIInChI=1S/C22H36N2O2/c1-22(2)19-5-4-18(20(22)15-19)16-23-9-7-17(8-10-23)3-6-21(25)24-11-13-26-14-12-24/h4,17,19-20H,3,5-16H2,1-2H3/t19-,20-/m0/s1
InChIKeyFZWWHXMGTBVLGR-PMACEKPBSA-N
XLogP3.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-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 3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (CID 25365428) is 3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is CC1(C)[C@H]2CC=C(CN3CCC(CCC(=O)N4CCOCC4)CC3)[C@@H]1C2.
What is the InChIKey of 3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is FZWWHXMGTBVLGR-PMACEKPBSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-22(2)19-5-4-18(20(22)15-19)16-23-9-7-17(8-10-23)3-6-21(25)24-11-13-26-14-12-24/h4,17,19-20H,3,5-16H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of 3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 360.54 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 25365428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).