2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide

C27H30N2O4S — CID 43008212

IUPAC2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCCc3cccs3)CCC(=O)N2c2ccc(C)cc2)cc1OC
InChIInChI=1S/C27H30N2O4S/c1-18-6-9-20(10-7-18)29-25(30)13-11-22(27(31)28-15-14-21-5-4-16-34-21)26(29)19-8-12-23(32-2)24(17-19)33-3/h4-10,12,16-17,22,26H,11,13-15H2,1-3H3,(H,28,31)
InChIKeyKHSDLOLJCDUIJV-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.92
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide

2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide (PubChem CID 43008212) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
PubChem CID43008212
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCCc3cccs3)CCC(=O)N2c2ccc(C)cc2)cc1OC
InChIInChI=1S/C27H30N2O4S/c1-18-6-9-20(10-7-18)29-25(30)13-11-22(27(31)28-15-14-21-5-4-16-34-21)26(29)19-8-12-23(32-2)24(17-19)33-3/h4-10,12,16-17,22,26H,11,13-15H2,1-3H3,(H,28,31)
InChIKeyKHSDLOLJCDUIJV-UHFFFAOYSA-N
XLogP4.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide (CID 43008212) is 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide is COc1ccc(C2C(C(=O)NCCc3cccs3)CCC(=O)N2c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is KHSDLOLJCDUIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-18-6-9-20(10-7-18)29-25(30)13-11-22(27(31)28-15-14-21-5-4-16-34-21)26(29)19-8-12-23(32-2)24(17-19)33-3/h4-10,12,16-17,22,26H,11,13-15H2,1-3H3,(H,28,31).
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide?
2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 478.61 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 43008212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).