1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide

C24H30FN3O2 — CID 46067581

IUPAC1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)NCc2cccc(C)c2)CC(c2ccc(F)c(C)c2)C1
InChIInChI=1S/C24H30FN3O2/c1-4-26-24(30)28-14-20(19-8-9-22(25)17(3)11-19)12-21(15-28)23(29)27-13-18-7-5-6-16(2)10-18/h5-11,20-21H,4,12-15H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyBJEQUUNBOCYDGM-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.89
Rot. Bonds5

About 1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide

1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 46067581) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID46067581
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)NCc2cccc(C)c2)CC(c2ccc(F)c(C)c2)C1
InChIInChI=1S/C24H30FN3O2/c1-4-26-24(30)28-14-20(19-8-9-22(25)17(3)11-19)12-21(15-28)23(29)27-13-18-7-5-6-16(2)10-18/h5-11,20-21H,4,12-15H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyBJEQUUNBOCYDGM-UHFFFAOYSA-N
XLogP3.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide (CID 46067581) is 1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide is CCNC(=O)N1CC(C(=O)NCc2cccc(C)c2)CC(c2ccc(F)c(C)c2)C1.
What is the InChIKey of 1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is BJEQUUNBOCYDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-4-26-24(30)28-14-20(19-8-9-22(25)17(3)11-19)12-21(15-28)23(29)27-13-18-7-5-6-16(2)10-18/h5-11,20-21H,4,12-15H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 411.52 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 46067581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).