1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide

C19H20N4O4S — CID 6621590

IUPAC1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C19H20N4O4S/c24-19(20-13-14-5-2-1-3-6-14)15-9-11-23(12-10-15)28(25,26)17-8-4-7-16-18(17)22-27-21-16/h1-8,15H,9-13H2,(H,20,24)
InChIKeyPQUVWDVMMHAREW-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.94
Rot. Bonds5

About 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide (PubChem CID 6621590) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide
PubChem CID6621590
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C19H20N4O4S/c24-19(20-13-14-5-2-1-3-6-14)15-9-11-23(12-10-15)28(25,26)17-8-4-7-16-18(17)22-27-21-16/h1-8,15H,9-13H2,(H,20,24)
InChIKeyPQUVWDVMMHAREW-UHFFFAOYSA-N
XLogP1.94
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide (CID 6621590) is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide?
The InChIKey is PQUVWDVMMHAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-19(20-13-14-5-2-1-3-6-14)15-9-11-23(12-10-15)28(25,26)17-8-4-7-16-18(17)22-27-21-16/h1-8,15H,9-13H2,(H,20,24).
What are the key properties of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide?
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-benzylpiperidine-4-carboxamide is sourced from PubChem (CID 6621590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).