1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C20H25N3O5S — CID 2988381

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)NCc3cccnc3)C2)c1
InChIInChI=1S/C20H25N3O5S/c1-27-17-7-8-18(28-2)19(11-17)29(25,26)23-10-4-6-16(14-23)20(24)22-13-15-5-3-9-21-12-15/h3,5,7-9,11-12,16H,4,6,10,13-14H2,1-2H3,(H,22,24)
InChIKeyOXXFEMBLAKXUOZ-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.82
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 2988381) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID2988381
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)NCc3cccnc3)C2)c1
InChIInChI=1S/C20H25N3O5S/c1-27-17-7-8-18(28-2)19(11-17)29(25,26)23-10-4-6-16(14-23)20(24)22-13-15-5-3-9-21-12-15/h3,5,7-9,11-12,16H,4,6,10,13-14H2,1-2H3,(H,22,24)
InChIKeyOXXFEMBLAKXUOZ-UHFFFAOYSA-N
XLogP1.82
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 2988381) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)NCc3cccnc3)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is OXXFEMBLAKXUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-27-17-7-8-18(28-2)19(11-17)29(25,26)23-10-4-6-16(14-23)20(24)22-13-15-5-3-9-21-12-15/h3,5,7-9,11-12,16H,4,6,10,13-14H2,1-2H3,(H,22,24).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 2988381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).