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

C24H24N2O2 — CID 25199442

IUPAC3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CC1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H24N2O2/c27-24-26(22-10-3-4-11-23(22)28-24)16-18-12-14-25(15-13-18)17-20-8-5-7-19-6-1-2-9-21(19)20/h1-11,18H,12-17H2
InChIKeyVMQUOBMIHLXHRG-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.66
Rot. Bonds4

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

3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one (PubChem CID 25199442) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one
PubChem CID25199442
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CC1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H24N2O2/c27-24-26(22-10-3-4-11-23(22)28-24)16-18-12-14-25(15-13-18)17-20-8-5-7-19-6-1-2-9-21(19)20/h1-11,18H,12-17H2
InChIKeyVMQUOBMIHLXHRG-UHFFFAOYSA-N
XLogP4.66
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one (CID 25199442) is 3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CC1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is VMQUOBMIHLXHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-24-26(22-10-3-4-11-23(22)28-24)16-18-12-14-25(15-13-18)17-20-8-5-7-19-6-1-2-9-21(19)20/h1-11,18H,12-17H2.
What are the key properties of 3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one?
3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 372.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 25199442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).