1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C18H19N5O4S — CID 3236809

IUPAC1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)nc1
InChIInChI=1S/C18H19N5O4S/c1-12-5-6-16(19-11-12)20-18(24)13-7-9-23(10-8-13)28(25,26)15-4-2-3-14-17(15)22-27-21-14/h2-6,11,13H,7-10H2,1H3,(H,19,20,24)
InChIKeyUILWWVQWLUMLAF-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.97
Rot. Bonds4

About 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 3236809) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID3236809
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)nc1
InChIInChI=1S/C18H19N5O4S/c1-12-5-6-16(19-11-12)20-18(24)13-7-9-23(10-8-13)28(25,26)15-4-2-3-14-17(15)22-27-21-14/h2-6,11,13H,7-10H2,1H3,(H,19,20,24)
InChIKeyUILWWVQWLUMLAF-UHFFFAOYSA-N
XLogP1.97
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 3236809) is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)nc1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is UILWWVQWLUMLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-12-5-6-16(19-11-12)20-18(24)13-7-9-23(10-8-13)28(25,26)15-4-2-3-14-17(15)22-27-21-14/h2-6,11,13H,7-10H2,1H3,(H,19,20,24).
What are the key properties of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 3236809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).