3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide

C21H23FN2O4 — CID 108557466

IUPAC3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H23FN2O4/c1-14(28-19-7-5-18(25)6-8-19)21(27)24-11-9-17(10-12-24)23-20(26)15-3-2-4-16(22)13-15/h2-8,13-14,17,25H,9-12H2,1H3,(H,23,26)
InChIKeyHWMAIODMPGDWNH-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.72
Rot. Bonds5

About 3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide

3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide (PubChem CID 108557466) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
PubChem CID108557466
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H23FN2O4/c1-14(28-19-7-5-18(25)6-8-19)21(27)24-11-9-17(10-12-24)23-20(26)15-3-2-4-16(22)13-15/h2-8,13-14,17,25H,9-12H2,1H3,(H,23,26)
InChIKeyHWMAIODMPGDWNH-UHFFFAOYSA-N
XLogP2.72
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108553820
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557567
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534702
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558175
2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108549664
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554683
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550032
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108564305
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557444

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide (CID 108557466) is 3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide is CC(Oc1ccc(O)cc1)C(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide?
The InChIKey is HWMAIODMPGDWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-14(28-19-7-5-18(25)6-8-19)21(27)24-11-9-17(10-12-24)23-20(26)15-3-2-4-16(22)13-15/h2-8,13-14,17,25H,9-12H2,1H3,(H,23,26).
What are the key properties of 3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide?
3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide has a molecular weight of 386.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108557466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).