3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide

C15H19FN2O2 — CID 134423135

IUPAC3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
SMILESO=CCN1CCC(CNC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O2/c16-14-3-1-2-13(10-14)15(20)17-11-12-4-6-18(7-5-12)8-9-19/h1-3,9-10,12H,4-8,11H2,(H,17,20)
InChIKeyDZBADCDDXZTYLI-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.47
Rot. Bonds5

About 3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide

3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 134423135) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
PubChem CID134423135
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
SMILESO=CCN1CCC(CNC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O2/c16-14-3-1-2-13(10-14)15(20)17-11-12-4-6-18(7-5-12)8-9-19/h1-3,9-10,12H,4-8,11H2,(H,17,20)
InChIKeyDZBADCDDXZTYLI-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
CID 146616862
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
3-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63007971
2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone
CID 116557703
3-fluoro-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 111520313
3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 126442048
3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide
CID 91814088
1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024778

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide (CID 134423135) is 3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide is O=CCN1CCC(CNC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is DZBADCDDXZTYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-14-3-1-2-13(10-14)15(20)17-11-12-4-6-18(7-5-12)8-9-19/h1-3,9-10,12H,4-8,11H2,(H,17,20).
What are the key properties of 3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide?
3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 278.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 134423135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).