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

C20H22N4O4S — CID 3240591

IUPAC1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C20H22N4O4S/c25-20(21-12-9-15-5-2-1-3-6-15)16-10-13-24(14-11-16)29(26,27)18-8-4-7-17-19(18)23-28-22-17/h1-8,16H,9-14H2,(H,21,25)
InChIKeyIGUBHWZWQYYOOQ-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.98
Rot. Bonds6

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

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 3240591) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID3240591
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C20H22N4O4S/c25-20(21-12-9-15-5-2-1-3-6-15)16-10-13-24(14-11-16)29(26,27)18-8-4-7-17-19(18)23-28-22-17/h1-8,16H,9-14H2,(H,21,25)
InChIKeyIGUBHWZWQYYOOQ-UHFFFAOYSA-N
XLogP1.98
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.98
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-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide (CID 3240591) is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is IGUBHWZWQYYOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c25-20(21-12-9-15-5-2-1-3-6-15)16-10-13-24(14-11-16)29(26,27)18-8-4-7-17-19(18)23-28-22-17/h1-8,16H,9-14H2,(H,21,25).
What are the key properties of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 1.98, 6 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-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3240591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).