1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide

C16H22FN3O3 — CID 3792524

IUPAC1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide
SMILESCOCCNC(=O)C1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FN3O3/c1-23-10-8-18-15(21)12-3-2-9-20(11-12)16(22)19-14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyQSTUEJJTUBHEME-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.83
Rot. Bonds5

About 1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide

1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide (PubChem CID 3792524) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide
PubChem CID3792524
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide
SMILESCOCCNC(=O)C1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H22FN3O3/c1-23-10-8-18-15(21)12-3-2-9-20(11-12)16(22)19-14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyQSTUEJJTUBHEME-UHFFFAOYSA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide (CID 3792524) is 1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide is COCCNC(=O)C1CCCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide?
The InChIKey is QSTUEJJTUBHEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-23-10-8-18-15(21)12-3-2-9-20(11-12)16(22)19-14-6-4-13(17)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide?
1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-3-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 3792524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).