4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C20H26F3N3O4 — CID 4982860

IUPAC4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC(C)C1COC(=O)N1C1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1
InChIInChI=1S/C20H26F3N3O4/c1-3-13(2)16-11-29-19(28)26(16)15-6-8-25(9-7-15)18(27)14-4-5-17(24-10-14)30-12-20(21,22)23/h4-5,10,13,15-16H,3,6-9,11-12H2,1-2H3
InChIKeyNVRXLGZOUKLIHP-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.49
Rot. Bonds6

About 4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 4982860) has the molecular formula C20H26F3N3O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID4982860
Molecular FormulaC20H26F3N3O4
Molecular Weight429.44 g/mol
Exact Mass429.19
IUPAC Name4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC(C)C1COC(=O)N1C1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1
InChIInChI=1S/C20H26F3N3O4/c1-3-13(2)16-11-29-19(28)26(16)15-6-8-25(9-7-15)18(27)14-4-5-17(24-10-14)30-12-20(21,22)23/h4-5,10,13,15-16H,3,6-9,11-12H2,1-2H3
InChIKeyNVRXLGZOUKLIHP-UHFFFAOYSA-N
XLogP3.49
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-[(2S)-butan-2-yl]-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23850771
[(4S)-4-(dimethylamino)azepan-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 100636861
4-butan-2-yl-3-[1-(5-methylsulfanylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4985195
[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 119490982
(4R)-4-[(2S)-butan-2-yl]-3-[1-(3-oxo-4H-quinoxaline-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23935959
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 67169308
[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 97097008
4-butan-2-yl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3671179
(3-fluoro-4-methylphenyl)-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 55879030
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 55508084
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326
8-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 24608682

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 4982860) is 4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CCC(C)C1COC(=O)N1C1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)CC1.
What is the InChIKey of 4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is NVRXLGZOUKLIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O4/c1-3-13(2)16-11-29-19(28)26(16)15-6-8-25(9-7-15)18(27)14-4-5-17(24-10-14)30-12-20(21,22)23/h4-5,10,13,15-16H,3,6-9,11-12H2,1-2H3.
What are the key properties of 4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 429.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-[1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 4982860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).