2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide

C22H24ClN3O2 — CID 55680361

IUPAC2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCCC(c2nc3ccccc3o2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O2/c1-15(16-8-10-18(23)11-9-16)24-21(27)14-26-12-4-5-17(13-26)22-25-19-6-2-3-7-20(19)28-22/h2-3,6-11,15,17H,4-5,12-14H2,1H3,(H,24,27)
InChIKeyADOLUPMQJGAHQY-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.54
Rot. Bonds5

About 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 55680361) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
PubChem CID55680361
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCCC(c2nc3ccccc3o2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O2/c1-15(16-8-10-18(23)11-9-16)24-21(27)14-26-12-4-5-17(13-26)22-25-19-6-2-3-7-20(19)28-22/h2-3,6-11,15,17H,4-5,12-14H2,1H3,(H,24,27)
InChIKeyADOLUPMQJGAHQY-UHFFFAOYSA-N
XLogP4.54
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide (CID 55680361) is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide is CC(NC(=O)CN1CCCC(c2nc3ccccc3o2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is ADOLUPMQJGAHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15(16-8-10-18(23)11-9-16)24-21(27)14-26-12-4-5-17(13-26)22-25-19-6-2-3-7-20(19)28-22/h2-3,6-11,15,17H,4-5,12-14H2,1H3,(H,24,27).
What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide?
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 397.91 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 55680361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).