1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide

C25H27N3O2S — CID 126473143

IUPAC1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCN(C(=O)N1CCC(C(=O)NC(c2ccccc2)c2ccsc2)CC1)c1ccccc1
InChIInChI=1S/C25H27N3O2S/c1-27(22-10-6-3-7-11-22)25(30)28-15-12-20(13-16-28)24(29)26-23(21-14-17-31-18-21)19-8-4-2-5-9-19/h2-11,14,17-18,20,23H,12-13,15-16H2,1H3,(H,26,29)
InChIKeyHTGUSASKGLTGGC-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.92
Rot. Bonds5

About 1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide

1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 126473143) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide
PubChem CID126473143
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide
SMILESCN(C(=O)N1CCC(C(=O)NC(c2ccccc2)c2ccsc2)CC1)c1ccccc1
InChIInChI=1S/C25H27N3O2S/c1-27(22-10-6-3-7-11-22)25(30)28-15-12-20(13-16-28)24(29)26-23(21-14-17-31-18-21)19-8-4-2-5-9-19/h2-11,14,17-18,20,23H,12-13,15-16H2,1H3,(H,26,29)
InChIKeyHTGUSASKGLTGGC-UHFFFAOYSA-N
XLogP4.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide (CID 126473143) is 1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide is CN(C(=O)N1CCC(C(=O)NC(c2ccccc2)c2ccsc2)CC1)c1ccccc1.
What is the InChIKey of 1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is HTGUSASKGLTGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-27(22-10-6-3-7-11-22)25(30)28-15-12-20(13-16-28)24(29)26-23(21-14-17-31-18-21)19-8-4-2-5-9-19/h2-11,14,17-18,20,23H,12-13,15-16H2,1H3,(H,26,29).
What are the key properties of 1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide?
1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 433.58 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-phenyl-4-N-[phenyl(thiophen-3-yl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 126473143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).