5-(4-methoxy-3-phenylphenyl)piperidin-2-one

C18H19NO2 — CID 67536605

IUPAC5-(4-methoxy-3-phenylphenyl)piperidin-2-one
SMILESCOc1ccc(C2CCC(=O)NC2)cc1-c1ccccc1
InChIInChI=1S/C18H19NO2/c1-21-17-9-7-14(15-8-10-18(20)19-12-15)11-16(17)13-5-3-2-4-6-13/h2-7,9,11,15H,8,10,12H2,1H3,(H,19,20)
InChIKeyRBHYYIWXRVYZOD-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.36
Rot. Bonds3

About 5-(4-methoxy-3-phenylphenyl)piperidin-2-one

5-(4-methoxy-3-phenylphenyl)piperidin-2-one (PubChem CID 67536605) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(4-methoxy-3-phenylphenyl)piperidin-2-one.

Molecular Properties

Compound Name5-(4-methoxy-3-phenylphenyl)piperidin-2-one
PubChem CID67536605
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name5-(4-methoxy-3-phenylphenyl)piperidin-2-one
SMILESCOc1ccc(C2CCC(=O)NC2)cc1-c1ccccc1
InChIInChI=1S/C18H19NO2/c1-21-17-9-7-14(15-8-10-18(20)19-12-15)11-16(17)13-5-3-2-4-6-13/h2-7,9,11,15H,8,10,12H2,1H3,(H,19,20)
InChIKeyRBHYYIWXRVYZOD-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-phenylphenyl)piperidin-2-one?
The IUPAC name of 5-(4-methoxy-3-phenylphenyl)piperidin-2-one (CID 67536605) is 5-(4-methoxy-3-phenylphenyl)piperidin-2-one.
What is the SMILES notation for 5-(4-methoxy-3-phenylphenyl)piperidin-2-one?
The canonical SMILES for 5-(4-methoxy-3-phenylphenyl)piperidin-2-one is COc1ccc(C2CCC(=O)NC2)cc1-c1ccccc1.
What is the InChIKey of 5-(4-methoxy-3-phenylphenyl)piperidin-2-one?
The InChIKey is RBHYYIWXRVYZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-17-9-7-14(15-8-10-18(20)19-12-15)11-16(17)13-5-3-2-4-6-13/h2-7,9,11,15H,8,10,12H2,1H3,(H,19,20).
What are the key properties of 5-(4-methoxy-3-phenylphenyl)piperidin-2-one?
5-(4-methoxy-3-phenylphenyl)piperidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-phenylphenyl)piperidin-2-one is sourced from PubChem (CID 67536605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).