2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one

C22H26N2O2 — CID 22068431

IUPAC2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one
SMILESCc1ccc2on(CCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C22H26N2O2/c1-17-7-8-21-20(15-17)22(25)24(26-21)14-11-18-9-12-23(13-10-18)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3
InChIKeyFQEXKSFZQQBMMX-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.21
Rot. Bonds5

About 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one

2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one (PubChem CID 22068431) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one
PubChem CID22068431
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one
SMILESCc1ccc2on(CCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C22H26N2O2/c1-17-7-8-21-20(15-17)22(25)24(26-21)14-11-18-9-12-23(13-10-18)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3
InChIKeyFQEXKSFZQQBMMX-UHFFFAOYSA-N
XLogP4.21
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one?
The IUPAC name of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one (CID 22068431) is 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one.
What is the SMILES notation for 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one?
The canonical SMILES for 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one is Cc1ccc2on(CCC3CCN(Cc4ccccc4)CC3)c(=O)c2c1.
What is the InChIKey of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one?
The InChIKey is FQEXKSFZQQBMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-7-8-21-20(15-17)22(25)24(26-21)14-11-18-9-12-23(13-10-18)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3.
What are the key properties of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one?
2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one has a molecular weight of 350.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-1,2-benzoxazol-3-one is sourced from PubChem (CID 22068431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).