1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C20H22N4O5S — CID 5308174

IUPAC1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)nc1
InChIInChI=1S/C20H22N4O5S/c1-13-5-8-18(21-11-13)22-19(25)14-4-3-9-24(12-14)30(27,28)15-6-7-16-17(10-15)29-20(26)23(16)2/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,21,22,25)
InChIKeyKEBDLOBKSAEQBB-UHFFFAOYSA-N
MW430.49 g/mol
LogP1.87
Rot. Bonds4

About 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 5308174) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID5308174
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)nc1
InChIInChI=1S/C20H22N4O5S/c1-13-5-8-18(21-11-13)22-19(25)14-4-3-9-24(12-14)30(27,28)15-6-7-16-17(10-15)29-20(26)23(16)2/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,21,22,25)
InChIKeyKEBDLOBKSAEQBB-UHFFFAOYSA-N
XLogP1.87
TPSA114.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 5308174) is 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)nc1.
What is the InChIKey of 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is KEBDLOBKSAEQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-13-5-8-18(21-11-13)22-19(25)14-4-3-9-24(12-14)30(27,28)15-6-7-16-17(10-15)29-20(26)23(16)2/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,21,22,25).
What are the key properties of 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 5308174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).