2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide

C20H23BrFN3O3 — CID 55957752

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(CN2CCC(NC(=O)Cn3cc(Br)ccc3=O)CC2)cc1F
InChIInChI=1S/C20H23BrFN3O3/c1-28-18-4-2-14(10-17(18)22)11-24-8-6-16(7-9-24)23-19(26)13-25-12-15(21)3-5-20(25)27/h2-5,10,12,16H,6-9,11,13H2,1H3,(H,23,26)
InChIKeyFHRZJHBCEIARJU-UHFFFAOYSA-N
MW452.32 g/mol
LogP2.54
Rot. Bonds6

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 55957752) has the molecular formula C20H23BrFN3O3 and a molecular weight of 452.32 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
PubChem CID55957752
Molecular FormulaC20H23BrFN3O3
Molecular Weight452.32 g/mol
Exact Mass451.09
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(CN2CCC(NC(=O)Cn3cc(Br)ccc3=O)CC2)cc1F
InChIInChI=1S/C20H23BrFN3O3/c1-28-18-4-2-14(10-17(18)22)11-24-8-6-16(7-9-24)23-19(26)13-25-12-15(21)3-5-20(25)27/h2-5,10,12,16H,6-9,11,13H2,1H3,(H,23,26)
InChIKeyFHRZJHBCEIARJU-UHFFFAOYSA-N
XLogP2.54
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide with MolForge

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 47028067
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetamide
CID 91639043
1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55957750
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 55957230
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 75404732
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55958775
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
cis-(1R,2S)-2-amino-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 124687769
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 55958260
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide (CID 55957752) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide is COc1ccc(CN2CCC(NC(=O)Cn3cc(Br)ccc3=O)CC2)cc1F.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is FHRZJHBCEIARJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN3O3/c1-28-18-4-2-14(10-17(18)22)11-24-8-6-16(7-9-24)23-19(26)13-25-12-15(21)3-5-20(25)27/h2-5,10,12,16H,6-9,11,13H2,1H3,(H,23,26).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 452.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 55957752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).