1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C19H28N2O6S — CID 2963986

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)c1
InChIInChI=1S/C19H28N2O6S/c1-25-15-5-6-17(26-2)18(12-15)28(23,24)21-9-7-14(8-10-21)19(22)20-13-16-4-3-11-27-16/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H,20,22)
InChIKeyRHZHEALCUWIPNX-UHFFFAOYSA-N
MW412.51 g/mol
LogP1.40
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2963986) has the molecular formula C19H28N2O6S and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2963986
Molecular FormulaC19H28N2O6S
Molecular Weight412.51 g/mol
Exact Mass412.17
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)c1
InChIInChI=1S/C19H28N2O6S/c1-25-15-5-6-17(26-2)18(12-15)28(23,24)21-9-7-14(8-10-21)19(22)20-13-16-4-3-11-27-16/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H,20,22)
InChIKeyRHZHEALCUWIPNX-UHFFFAOYSA-N
XLogP1.40
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 2963986) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is RHZHEALCUWIPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6S/c1-25-15-5-6-17(26-2)18(12-15)28(23,24)21-9-7-14(8-10-21)19(22)20-13-16-4-3-11-27-16/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3,(H,20,22).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 1.40, 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-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2963986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).