1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C13H18N2O4S — CID 1088331

IUPAC1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-19-11-2-4-12(5-3-11)20(17,18)15-8-6-10(7-9-15)13(14)16/h2-5,10H,6-9H2,1H3,(H2,14,16)
InChIKeyLVXHSXOLPPPVMH-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.58
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1088331) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1088331
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-19-11-2-4-12(5-3-11)20(17,18)15-8-6-10(7-9-15)13(14)16/h2-5,10H,6-9H2,1H3,(H2,14,16)
InChIKeyLVXHSXOLPPPVMH-UHFFFAOYSA-N
XLogP0.58
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 1088331) is 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LVXHSXOLPPPVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-11-2-4-12(5-3-11)20(17,18)15-8-6-10(7-9-15)13(14)16/h2-5,10H,6-9H2,1H3,(H2,14,16).
What are the key properties of 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1088331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).