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

C20H22N2O2 — CID 25199436

IUPAC3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2O2/c23-20-22(18-8-4-5-9-19(18)24-20)15-17-10-12-21(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyCJLDVRVPMPWWTN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.51
Rot. Bonds4

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

3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 25199436) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID25199436
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2O2/c23-20-22(18-8-4-5-9-19(18)24-20)15-17-10-12-21(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyCJLDVRVPMPWWTN-UHFFFAOYSA-N
XLogP3.51
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one (CID 25199436) is 3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is CJLDVRVPMPWWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20-22(18-8-4-5-9-19(18)24-20)15-17-10-12-21(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2.
What are the key properties of 3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one?
3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 322.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-4-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 25199436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).