N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide

C22H25FN2O4 — CID 42508020

IUPACN-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
SMILESCOCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O4/c1-28-15-21(26)25-12-10-18(11-13-25)29-20-5-3-2-4-19(20)22(27)24-14-16-6-8-17(23)9-7-16/h2-9,18H,10-15H2,1H3,(H,24,27)
InChIKeyFKUJZLDCYQCOFR-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.77
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide

N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide (PubChem CID 42508020) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
PubChem CID42508020
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
SMILESCOCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O4/c1-28-15-21(26)25-12-10-18(11-13-25)29-20-5-3-2-4-19(20)22(27)24-14-16-6-8-17(23)9-7-16/h2-9,18H,10-15H2,1H3,(H,24,27)
InChIKeyFKUJZLDCYQCOFR-UHFFFAOYSA-N
XLogP2.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 72926932
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 72844684
N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 42241404
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 86971742
2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70748201
N-ethyl-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45186750
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
CID 42215995
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide (CID 42508020) is N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide is COCC(=O)N1CCC(Oc2ccccc2C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The InChIKey is FKUJZLDCYQCOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-28-15-21(26)25-12-10-18(11-13-25)29-20-5-3-2-4-19(20)22(27)24-14-16-6-8-17(23)9-7-16/h2-9,18H,10-15H2,1H3,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide has a molecular weight of 400.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42508020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).