3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide

C22H27FN2O2 — CID 53464585

IUPAC3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCCC(CNC(=O)c2cccc(Oc3ccc(F)cc3)c2)C1
InChIInChI=1S/C22H27FN2O2/c1-16(2)25-12-4-5-17(15-25)14-24-22(26)18-6-3-7-21(13-18)27-20-10-8-19(23)9-11-20/h3,6-11,13,16-17H,4-5,12,14-15H2,1-2H3,(H,24,26)
InChIKeyOCMBAIKNXGRGRK-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.47
Rot. Bonds6

About 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide

3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide (PubChem CID 53464585) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
PubChem CID53464585
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
SMILESCC(C)N1CCCC(CNC(=O)c2cccc(Oc3ccc(F)cc3)c2)C1
InChIInChI=1S/C22H27FN2O2/c1-16(2)25-12-4-5-17(15-25)14-24-22(26)18-6-3-7-21(13-18)27-20-10-8-19(23)9-11-20/h3,6-11,13,16-17H,4-5,12,14-15H2,1-2H3,(H,24,26)
InChIKeyOCMBAIKNXGRGRK-UHFFFAOYSA-N
XLogP4.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide
CID 121494905
4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
CID 53465165
4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
CID 53465164
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60614144
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
N-[2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methylcarbamoylamino]ethyl]benzamide
CID 95977877
1-oxido-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-1-ium-4-carboxamide
CID 60614188
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746
3-(2-aminoethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 62593153
1-(4-fluorophenyl)-5-methyl-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 52510251
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111678697

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide (CID 53464585) is 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide is CC(C)N1CCCC(CNC(=O)c2cccc(Oc3ccc(F)cc3)c2)C1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
The InChIKey is OCMBAIKNXGRGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16(2)25-12-4-5-17(15-25)14-24-22(26)18-6-3-7-21(13-18)27-20-10-8-19(23)9-11-20/h3,6-11,13,16-17H,4-5,12,14-15H2,1-2H3,(H,24,26).
What are the key properties of 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide?
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide has a molecular weight of 370.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 53464585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).