2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

C21H21N3O4 — CID 10134304

IUPAC2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H21N3O4/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)
InChIKeyIMDDOAUHJPXTRQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.54
Rot. Bonds3

About 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide

2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (PubChem CID 10134304) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
PubChem CID10134304
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H21N3O4/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27)
InChIKeyIMDDOAUHJPXTRQ-UHFFFAOYSA-N
XLogP2.54
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide (CID 10134304) is 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is O=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is IMDDOAUHJPXTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-19(22-16-6-7-17-18(13-16)28-21(27)23-17)20(26)24-10-8-15(9-11-24)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,25)(H,23,27).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide?
2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 10134304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).