2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide

C16H21N3O3 — CID 56816591

IUPAC2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCc1ccc2oc(=O)n(CN3CCC(CC(N)=O)CC3)c2c1
InChIInChI=1S/C16H21N3O3/c1-11-2-3-14-13(8-11)19(16(21)22-14)10-18-6-4-12(5-7-18)9-15(17)20/h2-3,8,12H,4-7,9-10H2,1H3,(H2,17,20)
InChIKeyWAFUVMHCBBYGPO-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.45
Rot. Bonds4

About 2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide

2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 56816591) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide
PubChem CID56816591
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCc1ccc2oc(=O)n(CN3CCC(CC(N)=O)CC3)c2c1
InChIInChI=1S/C16H21N3O3/c1-11-2-3-14-13(8-11)19(16(21)22-14)10-18-6-4-12(5-7-18)9-15(17)20/h2-3,8,12H,4-7,9-10H2,1H3,(H2,17,20)
InChIKeyWAFUVMHCBBYGPO-UHFFFAOYSA-N
XLogP1.45
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide (CID 56816591) is 2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide is Cc1ccc2oc(=O)n(CN3CCC(CC(N)=O)CC3)c2c1.
What is the InChIKey of 2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is WAFUVMHCBBYGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-2-3-14-13(8-11)19(16(21)22-14)10-18-6-4-12(5-7-18)9-15(17)20/h2-3,8,12H,4-7,9-10H2,1H3,(H2,17,20).
What are the key properties of 2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide?
2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56816591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).