2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide

C22H25FN2O4 — CID 42215995

IUPAC2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C22H25FN2O4/c1-15(26)25-11-9-17(10-12-25)29-21-8-7-18(28-2)13-19(21)22(27)24-14-16-5-3-4-6-20(16)23/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyHKHLLWGHOHBKFI-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.15
Rot. Bonds6

About 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide

2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide (PubChem CID 42215995) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
PubChem CID42215995
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C22H25FN2O4/c1-15(26)25-11-9-17(10-12-25)29-21-8-7-18(28-2)13-19(21)22(27)24-14-16-5-3-4-6-20(16)23/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyHKHLLWGHOHBKFI-UHFFFAOYSA-N
XLogP3.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide
CID 72887052
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2,5-difluorophenyl)methyl]-5-methoxybenzamide
CID 25277673
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide
CID 42556868
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 25456293
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide
CID 42567551
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
CID 26334227
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 51196870
1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone
CID 42096484
2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide
CID 56700795
N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide
CID 146075276

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide (CID 42215995) is 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide is COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide?
The InChIKey is HKHLLWGHOHBKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-15(26)25-11-9-17(10-12-25)29-21-8-7-18(28-2)13-19(21)22(27)24-14-16-5-3-4-6-20(16)23/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,27).
What are the key properties of 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide?
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide has a molecular weight of 400.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 42215995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).