3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide

C21H24FN3O3 — CID 3222830

IUPAC3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(C(=O)NCc3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H24FN3O3/c1-28-19-6-2-5-18(12-19)24-21(27)25-11-3-4-16(14-25)20(26)23-13-15-7-9-17(22)10-8-15/h2,5-10,12,16H,3-4,11,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyJGPHMNYJYHWBFR-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.39
Rot. Bonds5

About 3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide

3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 3222830) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID3222830
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(C(=O)NCc3ccc(F)cc3)C2)c1
InChIInChI=1S/C21H24FN3O3/c1-28-19-6-2-5-18(12-19)24-21(27)25-11-3-4-16(14-25)20(26)23-13-15-7-9-17(22)10-8-15/h2,5-10,12,16H,3-4,11,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyJGPHMNYJYHWBFR-UHFFFAOYSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide (CID 3222830) is 3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide is COc1cccc(NC(=O)N2CCCC(C(=O)NCc3ccc(F)cc3)C2)c1.
What is the InChIKey of 3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is JGPHMNYJYHWBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-28-19-6-2-5-18(12-19)24-21(27)25-11-3-4-16(14-25)20(26)23-13-15-7-9-17(22)10-8-15/h2,5-10,12,16H,3-4,11,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide?
3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 3222830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).