N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H23N3O6S — CID 154576685

IUPACN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOC1(CNC(=O)Cn2c(=O)oc3ccccc32)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H23N3O6S/c1-25-17(7-9-19(10-8-17)27(2,23)24)12-18-15(21)11-20-13-5-3-4-6-14(13)26-16(20)22/h3-6H,7-12H2,1-2H3,(H,18,21)
InChIKeyUNFYVBVXNHBQBT-UHFFFAOYSA-N
MW397.45 g/mol
LogP0.15
Rot. Bonds6

About N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 154576685) has the molecular formula C17H23N3O6S and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID154576685
Molecular FormulaC17H23N3O6S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC NameN-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCOC1(CNC(=O)Cn2c(=O)oc3ccccc32)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H23N3O6S/c1-25-17(7-9-19(10-8-17)27(2,23)24)12-18-15(21)11-20-13-5-3-4-6-14(13)26-16(20)22/h3-6H,7-12H2,1-2H3,(H,18,21)
InChIKeyUNFYVBVXNHBQBT-UHFFFAOYSA-N
XLogP0.15
TPSA110.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 71782160
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146074971
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
5-bromo-N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 146075012
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46522148
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(propan-2-ylideneamino)acetamide
CID 89398509
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 52907105

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 154576685) is N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is COC1(CNC(=O)Cn2c(=O)oc3ccccc32)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is UNFYVBVXNHBQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6S/c1-25-17(7-9-19(10-8-17)27(2,23)24)12-18-15(21)11-20-13-5-3-4-6-14(13)26-16(20)22/h3-6H,7-12H2,1-2H3,(H,18,21).
What are the key properties of N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 397.45 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 154576685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).