N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide

C15H19N3O5S — CID 110350785

IUPACN-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1
InChIInChI=1S/C15H19N3O5S/c1-16-14(19)10-5-7-18(8-6-10)24(21,22)11-3-4-12-13(9-11)23-15(20)17(12)2/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)
InChIKeyZNQPPULSBRCBBH-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.28
Rot. Bonds3

About N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide

N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 110350785) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID110350785
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC NameN-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1
InChIInChI=1S/C15H19N3O5S/c1-16-14(19)10-5-7-18(8-6-10)24(21,22)11-3-4-12-13(9-11)23-15(20)17(12)2/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)
InChIKeyZNQPPULSBRCBBH-UHFFFAOYSA-N
XLogP0.28
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

6-[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 20869028
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 98464539
6-(4-aminopiperidin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 43556311
6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 79411361
6-(3-hydroxyazetidin-1-yl)sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 55178205
N-[(2-chlorophenyl)methyl]-2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124765
2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53124780
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
N-(3-chloro-4-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20868981
N-(2,3-dimethylcyclohexyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20868978
N-(2-fluorophenyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 126458308
2-[1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 53124781

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide (CID 110350785) is N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1.
What is the InChIKey of N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is ZNQPPULSBRCBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-16-14(19)10-5-7-18(8-6-10)24(21,22)11-3-4-12-13(9-11)23-15(20)17(12)2/h3-4,9-10H,5-8H2,1-2H3,(H,16,19).
What are the key properties of N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide?
N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 110350785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).