1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one

C19H25FN2O3 — CID 95222110

IUPAC1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
SMILESO=C1CCCCCN1CCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H25FN2O3/c20-16-7-5-15(6-8-16)17-14-22(12-13-25-17)19(24)9-11-21-10-3-1-2-4-18(21)23/h5-8,17H,1-4,9-14H2/t17-/m1/s1
InChIKeySBVULRCYXMVGMV-QGZVFWFLSA-N
MW348.42 g/mol
LogP2.52
Rot. Bonds4

About 1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one

1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one (PubChem CID 95222110) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one.

Molecular Properties

Compound Name1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
PubChem CID95222110
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
SMILESO=C1CCCCCN1CCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H25FN2O3/c20-16-7-5-15(6-8-16)17-14-22(12-13-25-17)19(24)9-11-21-10-3-1-2-4-18(21)23/h5-8,17H,1-4,9-14H2/t17-/m1/s1
InChIKeySBVULRCYXMVGMV-QGZVFWFLSA-N
XLogP2.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
1-[2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 56817626
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylsulfonylpropan-1-one
CID 131913070
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
1-[3-oxo-3-[2-(2-phenylethyl)morpholin-4-yl]propyl]azepan-2-one
CID 45227906
1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 26405708
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
3-(cyclopropylamino)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 60964272
[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl] 2-cyclohexylideneacetate
CID 95048509
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 95555940

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one?
The IUPAC name of 1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one (CID 95222110) is 1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one.
What is the SMILES notation for 1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one?
The canonical SMILES for 1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one is O=C1CCCCCN1CCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one?
The InChIKey is SBVULRCYXMVGMV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-16-7-5-15(6-8-16)17-14-22(12-13-25-17)19(24)9-11-21-10-3-1-2-4-18(21)23/h5-8,17H,1-4,9-14H2/t17-/m1/s1.
What are the key properties of 1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one?
1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one has a molecular weight of 348.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one is sourced from PubChem (CID 95222110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).