(4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C18H22N2O2 — CID 1245915

IUPAC(4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2O2/c1-13-17(14(2)22-19-13)18(21)20-10-8-16(9-11-20)12-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3
InChIKeyUVYLHRRSINMFOR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.39
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

(4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 1245915) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID1245915
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2O2/c1-13-17(14(2)22-19-13)18(21)20-10-8-16(9-11-20)12-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3
InChIKeyUVYLHRRSINMFOR-UHFFFAOYSA-N
XLogP3.39
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 1245915) is (4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1noc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is UVYLHRRSINMFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-17(14(2)22-19-13)18(21)20-10-8-16(9-11-20)12-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
(4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 1245915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).