N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C21H25N3O3S — CID 55349930

IUPACN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC1CCN(C(CNC(=O)Cn2c(=O)oc3ccccc32)c2cccs2)CC1
InChIInChI=1S/C21H25N3O3S/c1-15-8-10-23(11-9-15)17(19-7-4-12-28-19)13-22-20(25)14-24-16-5-2-3-6-18(16)27-21(24)26/h2-7,12,15,17H,8-11,13-14H2,1H3,(H,22,25)
InChIKeyZWFUJFYLMOGCFC-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.25
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 55349930) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID55349930
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC1CCN(C(CNC(=O)Cn2c(=O)oc3ccccc32)c2cccs2)CC1
InChIInChI=1S/C21H25N3O3S/c1-15-8-10-23(11-9-15)17(19-7-4-12-28-19)13-22-20(25)14-24-16-5-2-3-6-18(16)27-21(24)26/h2-7,12,15,17H,8-11,13-14H2,1H3,(H,22,25)
InChIKeyZWFUJFYLMOGCFC-UHFFFAOYSA-N
XLogP3.25
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide
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CID 39969704
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
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2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 55349930) is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CC1CCN(C(CNC(=O)Cn2c(=O)oc3ccccc32)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is ZWFUJFYLMOGCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-15-8-10-23(11-9-15)17(19-7-4-12-28-19)13-22-20(25)14-24-16-5-2-3-6-18(16)27-21(24)26/h2-7,12,15,17H,8-11,13-14H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 399.52 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 55349930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).