2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide

C22H25FN2O4 — CID 108549664

IUPAC2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O4/c1-15(29-20-8-6-19(26)7-9-20)22(28)25-12-10-18(11-13-25)24-21(27)14-16-2-4-17(23)5-3-16/h2-9,15,18,26H,10-14H2,1H3,(H,24,27)
InChIKeyBCQNRMOBEWACOC-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.65
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide

2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide (PubChem CID 108549664) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide
PubChem CID108549664
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O4/c1-15(29-20-8-6-19(26)7-9-20)22(28)25-12-10-18(11-13-25)24-21(27)14-16-2-4-17(23)5-3-16/h2-9,15,18,26H,10-14H2,1H3,(H,24,27)
InChIKeyBCQNRMOBEWACOC-UHFFFAOYSA-N
XLogP2.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108564305
3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557466
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553423
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550032
3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108549550
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554683
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557567
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108565276
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-oxopentanamide
CID 108558057
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820768

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide (CID 108549664) is 2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide is CC(Oc1ccc(O)cc1)C(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide?
The InChIKey is BCQNRMOBEWACOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-15(29-20-8-6-19(26)7-9-20)22(28)25-12-10-18(11-13-25)24-21(27)14-16-2-4-17(23)5-3-16/h2-9,15,18,26H,10-14H2,1H3,(H,24,27).
What are the key properties of 2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide?
2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide has a molecular weight of 400.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108549664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).