N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide

C16H24F3N3O4 — CID 3681303

IUPACN-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H24F3N3O4/c1-2-3-4-12-10-26-15(25)22(12)11-5-7-21(8-6-11)13(23)9-20-14(24)16(17,18)19/h11-12H,2-10H2,1H3,(H,20,24)
InChIKeyWTLLWRZYWRXIMC-UHFFFAOYSA-N
MW379.38 g/mol
LogP1.67
Rot. Bonds6

About N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide

N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide (PubChem CID 3681303) has the molecular formula C16H24F3N3O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
PubChem CID3681303
Molecular FormulaC16H24F3N3O4
Molecular Weight379.38 g/mol
Exact Mass379.17
IUPAC NameN-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H24F3N3O4/c1-2-3-4-12-10-26-15(25)22(12)11-5-7-21(8-6-11)13(23)9-20-14(24)16(17,18)19/h11-12H,2-10H2,1H3,(H,20,24)
InChIKeyWTLLWRZYWRXIMC-UHFFFAOYSA-N
XLogP1.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide (CID 3681303) is N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide is CCCCC1COC(=O)N1C1CCN(C(=O)CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide?
The InChIKey is WTLLWRZYWRXIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O4/c1-2-3-4-12-10-26-15(25)22(12)11-5-7-21(8-6-11)13(23)9-20-14(24)16(17,18)19/h11-12H,2-10H2,1H3,(H,20,24).
What are the key properties of N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide?
N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide has a molecular weight of 379.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 3681303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).