3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid

C25H29FN2O4 — CID 75445744

IUPAC3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CC(c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C25H29FN2O4/c26-20-7-5-18(6-8-20)22(17-24(29)30)19-9-11-28(12-10-19)25(31)21-3-1-2-4-23(21)27-13-15-32-16-14-27/h1-8,19,22H,9-17H2,(H,29,30)
InChIKeyXAFMYUGDFRKDPJ-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.77
Rot. Bonds6

About 3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid

3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid (PubChem CID 75445744) has the molecular formula C25H29FN2O4 and a molecular weight of 440.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid
PubChem CID75445744
Molecular FormulaC25H29FN2O4
Molecular Weight440.52 g/mol
Exact Mass440.21
IUPAC Name3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CC(c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C25H29FN2O4/c26-20-7-5-18(6-8-20)22(17-24(29)30)19-9-11-28(12-10-19)25(31)21-3-1-2-4-23(21)27-13-15-32-16-14-27/h1-8,19,22H,9-17H2,(H,29,30)
InChIKeyXAFMYUGDFRKDPJ-UHFFFAOYSA-N
XLogP3.77
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid (CID 75445744) is 3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid is O=C(O)CC(c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid?
The InChIKey is XAFMYUGDFRKDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O4/c26-20-7-5-18(6-8-20)22(17-24(29)30)19-9-11-28(12-10-19)25(31)21-3-1-2-4-23(21)27-13-15-32-16-14-27/h1-8,19,22H,9-17H2,(H,29,30).
What are the key properties of 3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid?
3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid has a molecular weight of 440.52 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-[1-(2-morpholin-4-ylbenzoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 75445744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).