6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one

C25H29NO3 — CID 12786307

IUPAC6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2C(OCc3ccc(-c4ccccc4)cc3)CC(O1)C2N1CCCCC1
InChIInChI=1S/C25H29NO3/c27-24-15-21-22(16-23(29-24)25(21)26-13-5-2-6-14-26)28-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-23,25H,2,5-6,13-17H2
InChIKeyAVKLJGXRCCVPRV-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.43
Rot. Bonds5

About 6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one

6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one (PubChem CID 12786307) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one
PubChem CID12786307
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2C(OCc3ccc(-c4ccccc4)cc3)CC(O1)C2N1CCCCC1
InChIInChI=1S/C25H29NO3/c27-24-15-21-22(16-23(29-24)25(21)26-13-5-2-6-14-26)28-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-23,25H,2,5-6,13-17H2
InChIKeyAVKLJGXRCCVPRV-UHFFFAOYSA-N
XLogP4.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of 6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one (CID 12786307) is 6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one is O=C1CC2C(OCc3ccc(-c4ccccc4)cc3)CC(O1)C2N1CCCCC1.
What is the InChIKey of 6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is AVKLJGXRCCVPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c27-24-15-21-22(16-23(29-24)25(21)26-13-5-2-6-14-26)28-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-23,25H,2,5-6,13-17H2.
What are the key properties of 6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one?
6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one has a molecular weight of 391.51 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 12786307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).