6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one

C26H24N2O3 — CID 3064523

IUPAC6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=C(c1ccccc1)c1ccc2c(c1)oc(=O)n2CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H24N2O3/c29-25(21-9-5-2-6-10-21)22-11-12-23-24(17-22)31-26(30)28(23)18-27-15-13-20(14-16-27)19-7-3-1-4-8-19/h1-12,17,20H,13-16,18H2
InChIKeyUITMRROVDZOFKO-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.66
Rot. Bonds5

About 6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one

6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 3064523) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID3064523
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=C(c1ccccc1)c1ccc2c(c1)oc(=O)n2CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H24N2O3/c29-25(21-9-5-2-6-10-21)22-11-12-23-24(17-22)31-26(30)28(23)18-27-15-13-20(14-16-27)19-7-3-1-4-8-19/h1-12,17,20H,13-16,18H2
InChIKeyUITMRROVDZOFKO-UHFFFAOYSA-N
XLogP4.66
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one (CID 3064523) is 6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one is O=C(c1ccccc1)c1ccc2c(c1)oc(=O)n2CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is UITMRROVDZOFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c29-25(21-9-5-2-6-10-21)22-11-12-23-24(17-22)31-26(30)28(23)18-27-15-13-20(14-16-27)19-7-3-1-4-8-19/h1-12,17,20H,13-16,18H2.
What are the key properties of 6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one?
6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 412.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-3-[(4-phenylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 3064523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).