1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C17H18N4O5S — CID 22429355

IUPAC1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C17H18N4O5S/c22-17(18-11-13-3-2-10-25-13)12-6-8-21(9-7-12)27(23,24)15-5-1-4-14-16(15)20-26-19-14/h1-5,10,12H,6-9,11H2,(H,18,22)
InChIKeyKBIXCUBYIPFQDL-UHFFFAOYSA-N
MW390.42 g/mol
LogP1.53
Rot. Bonds5

About 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 22429355) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID22429355
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C17H18N4O5S/c22-17(18-11-13-3-2-10-25-13)12-6-8-21(9-7-12)27(23,24)15-5-1-4-14-16(15)20-26-19-14/h1-5,10,12H,6-9,11H2,(H,18,22)
InChIKeyKBIXCUBYIPFQDL-UHFFFAOYSA-N
XLogP1.53
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 51.53
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-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 22429355) is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KBIXCUBYIPFQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S/c22-17(18-11-13-3-2-10-25-13)12-6-8-21(9-7-12)27(23,24)15-5-1-4-14-16(15)20-26-19-14/h1-5,10,12H,6-9,11H2,(H,18,22).
What are the key properties of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 1.53, 5 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-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 22429355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).