1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C18H19BrFN3O — CID 133318639

IUPAC1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C18H19BrFN3O/c19-15-9-17(12-21-11-15)23-7-5-14(6-8-23)18(24)22-10-13-1-3-16(20)4-2-13/h1-4,9,11-12,14H,5-8,10H2,(H,22,24)
InChIKeyWSOMBUKTKPDPCA-UHFFFAOYSA-N
MW392.27 g/mol
LogP3.52
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 133318639) has the molecular formula C18H19BrFN3O and a molecular weight of 392.27 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID133318639
Molecular FormulaC18H19BrFN3O
Molecular Weight392.27 g/mol
Exact Mass391.07
IUPAC Name1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2cncc(Br)c2)CC1
InChIInChI=1S/C18H19BrFN3O/c19-15-9-17(12-21-11-15)23-7-5-14(6-8-23)18(24)22-10-13-1-3-16(20)4-2-13/h1-4,9,11-12,14H,5-8,10H2,(H,22,24)
InChIKeyWSOMBUKTKPDPCA-UHFFFAOYSA-N
XLogP3.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 133318639) is 1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(c2cncc(Br)c2)CC1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WSOMBUKTKPDPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O/c19-15-9-17(12-21-11-15)23-7-5-14(6-8-23)18(24)22-10-13-1-3-16(20)4-2-13/h1-4,9,11-12,14H,5-8,10H2,(H,22,24).
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 392.27 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 133318639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).