4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one

C15H18N2O2 — CID 10491441

IUPAC4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12/h1-5,12,16H,6-10H2,(H,17,18)
InChIKeyUQASDRGKIOGECB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.03
Rot. Bonds3

About 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one

4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one (PubChem CID 10491441) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one
PubChem CID10491441
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1Cc1ccccc1
InChIInChI=1S/C15H18N2O2/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12/h1-5,12,16H,6-10H2,(H,17,18)
InChIKeyUQASDRGKIOGECB-UHFFFAOYSA-N
XLogP2.03
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one?
The IUPAC name of 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one (CID 10491441) is 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one.
What is the SMILES notation for 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one?
The canonical SMILES for 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one is O=c1[nH]oc(C2CCNCC2)c1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one?
The InChIKey is UQASDRGKIOGECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12/h1-5,12,16H,6-10H2,(H,17,18).
What are the key properties of 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one?
4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one has a molecular weight of 258.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-piperidin-4-yl-1,2-oxazol-3-one is sourced from PubChem (CID 10491441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).