7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide

C23H22F2N2O4 — CID 11640515

IUPAC7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1F
InChIInChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
InChIKeyNKKHUNXEXXFYQF-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.47
Rot. Bonds5

About 7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide

7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide (PubChem CID 11640515) has the molecular formula C23H22F2N2O4 and a molecular weight of 428.44 g/mol. Its IUPAC name is 7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
PubChem CID11640515
Molecular FormulaC23H22F2N2O4
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Name7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1F
InChIInChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29)
InChIKeyNKKHUNXEXXFYQF-UHFFFAOYSA-N
XLogP3.47
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide with MolForge

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Related Compounds

AdipoRon
CID 16307093
N-(1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11539096
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
GT-0198
CID 71584823
7-fluoro-4-oxo-N-(1-((2-oxo-2H-chromen-7-yl)methyl)piperidin-4-yl)-4H-chromene-2-carboxamide
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2-[(4-Fluoro-3-{[4-(2-phenoxypropanoyl)piperazin-1-yl]carbonyl}phenyl)methoxy]benzamide
CID 25218488
2-[2-(4-Fluoro-3-{[4-(2-phenoxypropanoyl)piperazin-1-yl]carbonyl}phenyl)ethoxy]benzamide
CID 25218494
4,5-Difluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218496
4-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218497
5-Fluoro-2-[(4-fluoro-3-{[4-(2-phenoxypropanoyl)piperazin-1-yl]carbonyl}phenyl)methoxy]benzamide
CID 25218501
2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide
CID 44968179
2-[4-[3,9-dioxo-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 663437

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of 7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide (CID 11640515) is 7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide is COc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1F.
What is the InChIKey of 7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
The InChIKey is NKKHUNXEXXFYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4/c1-30-20-5-2-14(10-18(20)25)13-27-8-6-16(7-9-27)26-23(29)22-12-19(28)17-4-3-15(24)11-21(17)31-22/h2-5,10-12,16H,6-9,13H2,1H3,(H,26,29).
What are the key properties of 7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11640515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).