3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one

C25H24N2O2 — CID 10110575

IUPAC3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H24N2O2/c28-25-27(23-8-4-5-9-24(23)29-25)22-14-16-26(17-15-22)18-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-13,22H,14-18H2
InChIKeyQTQXVPZIEIJXRV-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.10
Rot. Bonds4

About 3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one

3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one (PubChem CID 10110575) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one
PubChem CID10110575
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H24N2O2/c28-25-27(23-8-4-5-9-24(23)29-25)22-14-16-26(17-15-22)18-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-13,22H,14-18H2
InChIKeyQTQXVPZIEIJXRV-UHFFFAOYSA-N
XLogP5.10
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one (CID 10110575) is 3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one?
The InChIKey is QTQXVPZIEIJXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-25-27(23-8-4-5-9-24(23)29-25)22-14-16-26(17-15-22)18-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-13,22H,14-18H2.
What are the key properties of 3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one?
3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one has a molecular weight of 384.48 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 10110575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).