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

C27H28N2O2 — CID 10136418

IUPAC3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H28N2O2/c30-27-29(25-13-7-8-14-26(25)31-27)23-15-18-28(19-16-23)20-17-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23-24H,15-20H2
InChIKeyWOGJBBSXFBYXJT-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.45
Rot. Bonds6

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

3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one (PubChem CID 10136418) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one
PubChem CID10136418
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H28N2O2/c30-27-29(25-13-7-8-14-26(25)31-27)23-15-18-28(19-16-23)20-17-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23-24H,15-20H2
InChIKeyWOGJBBSXFBYXJT-UHFFFAOYSA-N
XLogP5.45
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one 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 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one (CID 10136418) is 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
The InChIKey is WOGJBBSXFBYXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c30-27-29(25-13-7-8-14-26(25)31-27)23-15-18-28(19-16-23)20-17-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23-24H,15-20H2.
What are the key properties of 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one?
3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one has a molecular weight of 412.53 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,3-diphenylpropyl)piperidin-4-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 10136418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).