(4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone

C23H25FN2O3 — CID 46906405

IUPAC(4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C23H25FN2O3/c24-20-5-1-17(2-6-20)22(27)18-9-11-26(12-10-18)23(28)19-3-7-21(8-4-19)25-13-15-29-16-14-25/h1-8,18H,9-16H2
InChIKeyZEDUJYKZFCQXOW-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.40
Rot. Bonds4

About (4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone (PubChem CID 46906405) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone
PubChem CID46906405
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name(4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C23H25FN2O3/c24-20-5-1-17(2-6-20)22(27)18-9-11-26(12-10-18)23(28)19-3-7-21(8-4-19)25-13-15-29-16-14-25/h1-8,18H,9-16H2
InChIKeyZEDUJYKZFCQXOW-UHFFFAOYSA-N
XLogP3.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone (CID 46906405) is (4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is ZEDUJYKZFCQXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c24-20-5-1-17(2-6-20)22(27)18-9-11-26(12-10-18)23(28)19-3-7-21(8-4-19)25-13-15-29-16-14-25/h1-8,18H,9-16H2.
What are the key properties of (4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 396.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 46906405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).