N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C13H18F3N3O4 — CID 110710374

IUPACN-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCN1CC(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)OC1=O
InChIInChI=1S/C13H18F3N3O4/c1-18-7-9(23-12(18)22)6-17-10(20)8-2-4-19(5-3-8)11(21)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,20)
InChIKeyUYLZDEIEKVJNIG-UHFFFAOYSA-N
MW337.30 g/mol
LogP0.35
Rot. Bonds3

About N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110710374) has the molecular formula C13H18F3N3O4 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110710374
Molecular FormulaC13H18F3N3O4
Molecular Weight337.30 g/mol
Exact Mass337.12
IUPAC NameN-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCN1CC(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)OC1=O
InChIInChI=1S/C13H18F3N3O4/c1-18-7-9(23-12(18)22)6-17-10(20)8-2-4-19(5-3-8)11(21)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,20)
InChIKeyUYLZDEIEKVJNIG-UHFFFAOYSA-N
XLogP0.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(2-piperidin-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112502367
N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110402891
N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110715002
N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110868822
2,3,4-trifluoro-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110710361
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110370264
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110291553
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110416791
2-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]nonanamide
CID 135200366
N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
CID 110328375
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344066
N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110405067

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110710374) is N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CN1CC(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)OC1=O.
What is the InChIKey of N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is UYLZDEIEKVJNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O4/c1-18-7-9(23-12(18)22)6-17-10(20)8-2-4-19(5-3-8)11(21)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,20).
What are the key properties of N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 337.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110710374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).