N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

C15H22N2O4S — CID 2991696

IUPACN-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H22N2O4S/c1-3-21-14-9-5-4-8-13(14)16-15(18)12-7-6-10-17(11-12)22(2,19)20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,16,18)
InChIKeyICGXRKRCUHAHPI-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.70
Rot. Bonds5

About N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 2991696) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID2991696
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H22N2O4S/c1-3-21-14-9-5-4-8-13(14)16-15(18)12-7-6-10-17(11-12)22(2,19)20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,16,18)
InChIKeyICGXRKRCUHAHPI-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-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 2991696) is N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is CCOc1ccccc1NC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is ICGXRKRCUHAHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-21-14-9-5-4-8-13(14)16-15(18)12-7-6-10-17(11-12)22(2,19)20/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-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-(2-ethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2991696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).