3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

C19H24FN3O4 — CID 69311804

IUPAC3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
SMILESCC1(C)CN(c2ccc(N3CC(CCC(N)=O)OC3=O)cc2F)CCC1=O
InChIInChI=1S/C19H24FN3O4/c1-19(2)11-22(8-7-16(19)24)15-5-3-12(9-14(15)20)23-10-13(27-18(23)26)4-6-17(21)25/h3,5,9,13H,4,6-8,10-11H2,1-2H3,(H2,21,25)
InChIKeyJADYYMXWGGCPLX-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.22
Rot. Bonds5

About 3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (PubChem CID 69311804) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.

Molecular Properties

Compound Name3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
PubChem CID69311804
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
SMILESCC1(C)CN(c2ccc(N3CC(CCC(N)=O)OC3=O)cc2F)CCC1=O
InChIInChI=1S/C19H24FN3O4/c1-19(2)11-22(8-7-16(19)24)15-5-3-12(9-14(15)20)23-10-13(27-18(23)26)4-6-17(21)25/h3,5,9,13H,4,6-8,10-11H2,1-2H3,(H2,21,25)
InChIKeyJADYYMXWGGCPLX-UHFFFAOYSA-N
XLogP2.22
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 175036032
(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 58372627
(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 158399329
3-[3-[3-fluoro-4-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 91512763
methyl 3-[(5S)-3-[3-fluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
CID 157229886
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
methyl 3-[(5S)-3-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate
CID 149052775
(5S)-3-[3-fluoro-4-(2-propan-2-yl-1,2,5-oxadiazepan-5-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 147769623
[2-[4-[4-[(5S)-5-(3-amino-3-oxopropyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] acetate
CID 70169966
4-[[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]methylsulfanyl]butanamide;hydrochloride
CID 142826157
(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 10806051
5-(aminomethyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 68676117

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
The IUPAC name of 3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (CID 69311804) is 3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.
What is the SMILES notation for 3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
The canonical SMILES for 3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is CC1(C)CN(c2ccc(N3CC(CCC(N)=O)OC3=O)cc2F)CCC1=O.
What is the InChIKey of 3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
The InChIKey is JADYYMXWGGCPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-19(2)11-22(8-7-16(19)24)15-5-3-12(9-14(15)20)23-10-13(27-18(23)26)4-6-17(21)25/h3,5,9,13H,4,6-8,10-11H2,1-2H3,(H2,21,25).
What are the key properties of 3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide has a molecular weight of 377.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3,3-dimethyl-4-oxopiperidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is sourced from PubChem (CID 69311804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).