3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide

C20H20F2N2O3 — CID 45171525

IUPAC3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCOc1ccc(F)cc1C(=O)C1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H20F2N2O3/c1-27-18-9-6-15(22)11-17(18)19(25)13-3-2-10-24(12-13)20(26)23-16-7-4-14(21)5-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,26)
InChIKeyCOAWXGINSXXUNG-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.10
Rot. Bonds4

About 3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide

3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 45171525) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID45171525
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCOc1ccc(F)cc1C(=O)C1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H20F2N2O3/c1-27-18-9-6-15(22)11-17(18)19(25)13-3-2-10-24(12-13)20(26)23-16-7-4-14(21)5-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,26)
InChIKeyCOAWXGINSXXUNG-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-(piperidin-1-yl)phenyl]benzamide
CID 756103
N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-2-methoxy-benzamide
CID 5272242
N-(3-fluorophenyl)-4-oxochromene-3-carboxamide
CID 133053560
N-[3-(2-methoxyphenyl)-1-methyl-4-oxo-2-quinolinyl]-2-methylpropanamide
CID 2029483
2-methoxy-N-[2-(4-phenyl-1-piperazinyl)ethyl]benzamide hydrochloride
CID 2861859
N-(2-fluorophenyl)-3-(2-methoxybenzoyl)-1-piperidinecarboxamide
CID 16188690
N-(2-Fluoro-phenyl)-2-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-acetamide
CID 24761956
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide
CID 3142183
2-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970799
N-(2-Diethylamino-ethyl)-2-methoxy-4-[3-(4-trifluoromethoxy-phenyl)-ureido]-benzamide
CID 10434776
1-(4-(4-Methylpiperazine-1-carbonyl)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 24945677
N-(2-Diethylamino-ethyl)-2-methoxy-4-[3-(4-trifluoromethyl-phenyl)-ureido]-benzamide
CID 44394959

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 45171525) is 3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide is COc1ccc(F)cc1C(=O)C1CCCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is COAWXGINSXXUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-27-18-9-6-15(22)11-17(18)19(25)13-3-2-10-24(12-13)20(26)23-16-7-4-14(21)5-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,26).
What are the key properties of 3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxybenzoyl)-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 45171525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).