(2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate

C18H23NO5S — CID 3391826

IUPAC(2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OC1CCCCC1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H23NO5S/c20-16-9-2-3-10-17(16)24-18(21)14-7-6-8-15(13-14)25(22,23)19-11-4-1-5-12-19/h6-8,13,17H,1-5,9-12H2
InChIKeyMOIYQDARPCVJHV-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.53
Rot. Bonds4

About (2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate

(2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate (PubChem CID 3391826) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is (2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate
PubChem CID3391826
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name(2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OC1CCCCC1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H23NO5S/c20-16-9-2-3-10-17(16)24-18(21)14-7-6-8-15(13-14)25(22,23)19-11-4-1-5-12-19/h6-8,13,17H,1-5,9-12H2
InChIKeyMOIYQDARPCVJHV-UHFFFAOYSA-N
XLogP2.53
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate (CID 3391826) is (2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate is O=C(OC1CCCCC1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of (2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is MOIYQDARPCVJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c20-16-9-2-3-10-17(16)24-18(21)14-7-6-8-15(13-14)25(22,23)19-11-4-1-5-12-19/h6-8,13,17H,1-5,9-12H2.
What are the key properties of (2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate?
(2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 365.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclohexyl) 3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 3391826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).