4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol

C52H72N8O4 — CID 158525619

IUPAC4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol
SMILESOC1CCC(c2ccccc2C2CCN([C@@H]3CCC4(C3)CN(c3nnco3)C4)CC2)CC1.OC1CCC(c2ccccc2C2CCN([C@@H]3CCC4(C3)CN(c3nnco3)C4)CC2)CC1
InChIInChI=1S/2C26H36N4O2/c2*31-22-7-5-19(6-8-22)23-3-1-2-4-24(23)20-10-13-29(14-11-20)21-9-12-26(15-21)16-30(17-26)25-28-27-18-32-25/h2*1-4,18-22,31H,5-17H2/t2*19?,21-,22?/m11/s1
InChIKeyHMTCSIPSQUYKCY-QNZMUNCGSA-N
MW873.20 g/mol
LogP8.65
Rot. Bonds8

About 4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol

4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol (PubChem CID 158525619) has the molecular formula C52H72N8O4 and a molecular weight of 873.20 g/mol. Its IUPAC name is 4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol
PubChem CID158525619
Molecular FormulaC52H72N8O4
Molecular Weight873.20 g/mol
Exact Mass872.57
IUPAC Name4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol
SMILESOC1CCC(c2ccccc2C2CCN([C@@H]3CCC4(C3)CN(c3nnco3)C4)CC2)CC1.OC1CCC(c2ccccc2C2CCN([C@@H]3CCC4(C3)CN(c3nnco3)C4)CC2)CC1
InChIInChI=1S/2C26H36N4O2/c2*31-22-7-5-19(6-8-22)23-3-1-2-4-24(23)20-10-13-29(14-11-20)21-9-12-26(15-21)16-30(17-26)25-28-27-18-32-25/h2*1-4,18-22,31H,5-17H2/t2*19?,21-,22?/m11/s1
InChIKeyHMTCSIPSQUYKCY-QNZMUNCGSA-N
XLogP8.65
TPSA131.26 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500873.20
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol 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 4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol (CID 158525619) is 4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol is OC1CCC(c2ccccc2C2CCN([C@@H]3CCC4(C3)CN(c3nnco3)C4)CC2)CC1.OC1CCC(c2ccccc2C2CCN([C@@H]3CCC4(C3)CN(c3nnco3)C4)CC2)CC1.
What is the InChIKey of 4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol?
The InChIKey is HMTCSIPSQUYKCY-QNZMUNCGSA-N. The full InChI is InChI=1S/2C26H36N4O2/c2*31-22-7-5-19(6-8-22)23-3-1-2-4-24(23)20-10-13-29(14-11-20)21-9-12-26(15-21)16-30(17-26)25-28-27-18-32-25/h2*1-4,18-22,31H,5-17H2/t2*19?,21-,22?/m11/s1.
What are the key properties of 4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol?
4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol has a molecular weight of 873.20 g/mol, XLogP of 8.65, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol is sourced from PubChem (CID 158525619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).