1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide

C22H33N3O4S — CID 2438847

IUPAC1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1C
InChIInChI=1S/C22H33N3O4S/c1-14-13-15(2)17(4)20(16(14)3)30(28,29)25-11-7-19(8-12-25)22(27)24-9-5-18(6-10-24)21(23)26/h13,18-19H,5-12H2,1-4H3,(H2,23,26)
InChIKeyAKPXPNUZUFGXMP-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.04
Rot. Bonds4

About 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide

1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 2438847) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
PubChem CID2438847
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC Name1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1C
InChIInChI=1S/C22H33N3O4S/c1-14-13-15(2)17(4)20(16(14)3)30(28,29)25-11-7-19(8-12-25)22(27)24-9-5-18(6-10-24)21(23)26/h13,18-19H,5-12H2,1-4H3,(H2,23,26)
InChIKeyAKPXPNUZUFGXMP-UHFFFAOYSA-N
XLogP2.04
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide (CID 2438847) is 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1C.
What is the InChIKey of 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is AKPXPNUZUFGXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-14-13-15(2)17(4)20(16(14)3)30(28,29)25-11-7-19(8-12-25)22(27)24-9-5-18(6-10-24)21(23)26/h13,18-19H,5-12H2,1-4H3,(H2,23,26).
What are the key properties of 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide?
1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 2438847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).