methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate

C14H18F3N3O6 — CID 3766968

IUPACmethyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1C1CCN(C(=O)CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3O6/c1-25-11(22)9-7-26-13(24)20(9)8-2-4-19(5-3-8)10(21)6-18-12(23)14(15,16)17/h8-9H,2-7H2,1H3,(H,18,23)
InChIKeyWSCNGQLACZCWHN-UHFFFAOYSA-N
MW381.31 g/mol
LogP-0.35
Rot. Bonds4

About methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate

methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate (PubChem CID 3766968) has the molecular formula C14H18F3N3O6 and a molecular weight of 381.31 g/mol. Its IUPAC name is methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
PubChem CID3766968
Molecular FormulaC14H18F3N3O6
Molecular Weight381.31 g/mol
Exact Mass381.11
IUPAC Namemethyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(=O)N1C1CCN(C(=O)CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3O6/c1-25-11(22)9-7-26-13(24)20(9)8-2-4-19(5-3-8)10(21)6-18-12(23)14(15,16)17/h8-9H,2-7H2,1H3,(H,18,23)
InChIKeyWSCNGQLACZCWHN-UHFFFAOYSA-N
XLogP-0.35
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate (CID 3766968) is methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(=O)N1C1CCN(C(=O)CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
The InChIKey is WSCNGQLACZCWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O6/c1-25-11(22)9-7-26-13(24)20(9)8-2-4-19(5-3-8)10(21)6-18-12(23)14(15,16)17/h8-9H,2-7H2,1H3,(H,18,23).
What are the key properties of methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate has a molecular weight of 381.31 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 3766968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).