1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide

C19H19BrFN3O2 — CID 55922409

IUPAC1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(=O)c1c(F)cccc1N1CCC(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C19H19BrFN3O2/c1-12(25)18-15(21)3-2-4-16(18)24-9-7-13(8-10-24)19(26)23-17-6-5-14(20)11-22-17/h2-6,11,13H,7-10H2,1H3,(H,22,23,26)
InChIKeyWJZZPBJDJMGZBN-UHFFFAOYSA-N
MW420.28 g/mol
LogP4.04
Rot. Bonds4

About 1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide

1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55922409) has the molecular formula C19H19BrFN3O2 and a molecular weight of 420.28 g/mol. Its IUPAC name is 1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55922409
Molecular FormulaC19H19BrFN3O2
Molecular Weight420.28 g/mol
Exact Mass419.06
IUPAC Name1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(=O)c1c(F)cccc1N1CCC(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C19H19BrFN3O2/c1-12(25)18-15(21)3-2-4-16(18)24-9-7-13(8-10-24)19(26)23-17-6-5-14(20)11-22-17/h2-6,11,13H,7-10H2,1H3,(H,22,23,26)
InChIKeyWJZZPBJDJMGZBN-UHFFFAOYSA-N
XLogP4.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide (CID 55922409) is 1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide is CC(=O)c1c(F)cccc1N1CCC(C(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of 1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is WJZZPBJDJMGZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN3O2/c1-12(25)18-15(21)3-2-4-16(18)24-9-7-13(8-10-24)19(26)23-17-6-5-14(20)11-22-17/h2-6,11,13H,7-10H2,1H3,(H,22,23,26).
What are the key properties of 1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide?
1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 420.28 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55922409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).