4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C14H22F2N2O3 — CID 3681288

IUPAC4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C14H22F2N2O3/c1-2-3-4-11-9-21-14(20)18(11)10-5-7-17(8-6-10)13(19)12(15)16/h10-12H,2-9H2,1H3
InChIKeyQAHUMCYXCQVUTA-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.25
Rot. Bonds5

About 4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one

4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3681288) has the molecular formula C14H22F2N2O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3681288
Molecular FormulaC14H22F2N2O3
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C14H22F2N2O3/c1-2-3-4-11-9-21-14(20)18(11)10-5-7-17(8-6-10)13(19)12(15)16/h10-12H,2-9H2,1H3
InChIKeyQAHUMCYXCQVUTA-UHFFFAOYSA-N
XLogP2.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3681288) is 4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CCCCC1COC(=O)N1C1CCN(C(=O)C(F)F)CC1.
What is the InChIKey of 4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is QAHUMCYXCQVUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O3/c1-2-3-4-11-9-21-14(20)18(11)10-5-7-17(8-6-10)13(19)12(15)16/h10-12H,2-9H2,1H3.
What are the key properties of 4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 304.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3681288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).