4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one

C18H23FN2O3 — CID 124888618

IUPAC4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one
SMILESO=C(CN1CCOCC1=O)N1CCC[C@@H](c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN2O3/c19-16-5-3-15(4-6-16)14-2-1-8-20(9-7-14)17(22)12-21-10-11-24-13-18(21)23/h3-6,14H,1-2,7-13H2/t14-/m1/s1
InChIKeyLFKDUCRXUZOEDE-CQSZACIVSA-N
MW334.39 g/mol
LogP1.78
Rot. Bonds3

About 4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one

4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one (PubChem CID 124888618) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one
PubChem CID124888618
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one
SMILESO=C(CN1CCOCC1=O)N1CCC[C@@H](c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN2O3/c19-16-5-3-15(4-6-16)14-2-1-8-20(9-7-14)17(22)12-21-10-11-24-13-18(21)23/h3-6,14H,1-2,7-13H2/t14-/m1/s1
InChIKeyLFKDUCRXUZOEDE-CQSZACIVSA-N
XLogP1.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one?
The IUPAC name of 4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one (CID 124888618) is 4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one?
The canonical SMILES for 4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one is O=C(CN1CCOCC1=O)N1CCC[C@@H](c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one?
The InChIKey is LFKDUCRXUZOEDE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-16-5-3-15(4-6-16)14-2-1-8-20(9-7-14)17(22)12-21-10-11-24-13-18(21)23/h3-6,14H,1-2,7-13H2/t14-/m1/s1.
What are the key properties of 4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one?
4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one has a molecular weight of 334.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4R)-4-(4-fluorophenyl)azepan-1-yl]-2-oxoethyl]morpholin-3-one is sourced from PubChem (CID 124888618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).