N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide

C15H22N2O4S — CID 893606

IUPACN-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-21-14-6-4-13(5-7-14)16-15(18)12-8-10-17(11-9-12)22(2,19)20/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyJFMQAVYJKJDCOD-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.70
Rot. Bonds5

About N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 893606) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID893606
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-21-14-6-4-13(5-7-14)16-15(18)12-8-10-17(11-9-12)22(2,19)20/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyJFMQAVYJKJDCOD-UHFFFAOYSA-N
XLogP1.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 893606) is N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is JFMQAVYJKJDCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-21-14-6-4-13(5-7-14)16-15(18)12-8-10-17(11-9-12)22(2,19)20/h4-7,12H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 893606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).