6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one

C27H26N2O3 — CID 69082926

IUPAC6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one
SMILESCOc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C27H26N2O3/c1-18-28-22-14-15-24(31-2)26(27(22)32-18)23-12-7-13-25(30)29(23)17-19-8-6-11-21(16-19)20-9-4-3-5-10-20/h3-6,8-11,14-16,23H,7,12-13,17H2,1-2H3
InChIKeyOESUYCBPTZMHEI-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.07
Rot. Bonds5

About 6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one

6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one (PubChem CID 69082926) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one
PubChem CID69082926
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one
SMILESCOc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C27H26N2O3/c1-18-28-22-14-15-24(31-2)26(27(22)32-18)23-12-7-13-25(30)29(23)17-19-8-6-11-21(16-19)20-9-4-3-5-10-20/h3-6,8-11,14-16,23H,7,12-13,17H2,1-2H3
InChIKeyOESUYCBPTZMHEI-UHFFFAOYSA-N
XLogP6.07
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one?
The IUPAC name of 6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one (CID 69082926) is 6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one?
The canonical SMILES for 6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one is COc1ccc2nc(C)oc2c1C1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one?
The InChIKey is OESUYCBPTZMHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-18-28-22-14-15-24(31-2)26(27(22)32-18)23-12-7-13-25(30)29(23)17-19-8-6-11-21(16-19)20-9-4-3-5-10-20/h3-6,8-11,14-16,23H,7,12-13,17H2,1-2H3.
What are the key properties of 6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one?
6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one has a molecular weight of 426.52 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)-1-[(3-phenylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 69082926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).