2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone

C18H23FN2O3 — CID 1437846

IUPAC2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H23FN2O3/c19-16-3-1-14(2-4-16)18(23)15-5-7-20(8-6-15)13-17(22)21-9-11-24-12-10-21/h1-4,15H,5-13H2
InChIKeyHZPVQAWEEGPVQU-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.58
Rot. Bonds4

About 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone

2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 1437846) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID1437846
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H23FN2O3/c19-16-3-1-14(2-4-16)18(23)15-5-7-20(8-6-15)13-17(22)21-9-11-24-12-10-21/h1-4,15H,5-13H2
InChIKeyHZPVQAWEEGPVQU-UHFFFAOYSA-N
XLogP1.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone (CID 1437846) is 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone is O=C(c1ccc(F)cc1)C1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is HZPVQAWEEGPVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-16-3-1-14(2-4-16)18(23)15-5-7-20(8-6-15)13-17(22)21-9-11-24-12-10-21/h1-4,15H,5-13H2.
What are the key properties of 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 334.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 1437846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).