5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C16H20FN3O3 — CID 3710932

IUPAC5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC1CN(C2CCN(C(=O)c3cccnc3F)CC2)C(=O)O1
InChIInChI=1S/C16H20FN3O3/c1-2-12-10-20(16(22)23-12)11-5-8-19(9-6-11)15(21)13-4-3-7-18-14(13)17/h3-4,7,11-12H,2,5-6,8-10H2,1H3
InChIKeyLJLMOZKQLQTVOQ-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.06
Rot. Bonds3

About 5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3710932) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3710932
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC1CN(C2CCN(C(=O)c3cccnc3F)CC2)C(=O)O1
InChIInChI=1S/C16H20FN3O3/c1-2-12-10-20(16(22)23-12)11-5-8-19(9-6-11)15(21)13-4-3-7-18-14(13)17/h3-4,7,11-12H,2,5-6,8-10H2,1H3
InChIKeyLJLMOZKQLQTVOQ-UHFFFAOYSA-N
XLogP2.06
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
CID 3314837
3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3834044
2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 114037536
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3486030
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 70780005
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-fluoro-3-pyridinyl)methanone
CID 114037863
(2-fluoro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 107363058
(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95149907
1-(2-fluoropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 114037699
1-(2-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 107358837

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3710932) is 5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CCC1CN(C2CCN(C(=O)c3cccnc3F)CC2)C(=O)O1.
What is the InChIKey of 5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is LJLMOZKQLQTVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-2-12-10-20(16(22)23-12)11-5-8-19(9-6-11)15(21)13-4-3-7-18-14(13)17/h3-4,7,11-12H,2,5-6,8-10H2,1H3.
What are the key properties of 5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 321.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3710932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).