1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

C18H23FN2O3 — CID 46041491

IUPAC1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)N2CCOCC2)CCC1c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O3/c1-13(22)21-12-15(18(23)20-8-10-24-11-9-20)4-7-17(21)14-2-5-16(19)6-3-14/h2-3,5-6,15,17H,4,7-12H2,1H3
InChIKeySEVANERSJCAFLG-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.98
Rot. Bonds2

About 1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 46041491) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID46041491
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)N2CCOCC2)CCC1c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O3/c1-13(22)21-12-15(18(23)20-8-10-24-11-9-20)4-7-17(21)14-2-5-16(19)6-3-14/h2-3,5-6,15,17H,4,7-12H2,1H3
InChIKeySEVANERSJCAFLG-UHFFFAOYSA-N
XLogP1.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (CID 46041491) is 1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CC(C(=O)N2CCOCC2)CCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is SEVANERSJCAFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-13(22)21-12-15(18(23)20-8-10-24-11-9-20)4-7-17(21)14-2-5-16(19)6-3-14/h2-3,5-6,15,17H,4,7-12H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 334.39 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-5-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 46041491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).