2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide

C13H18F3N3O4 — CID 3464346

IUPAC2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC1COC(=O)N1C1CCN(C(=O)CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3O4/c1-8-7-23-12(22)19(8)9-2-4-18(5-3-9)10(20)6-17-11(21)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,21)
InChIKeyHNDHTKMDYSKVNP-UHFFFAOYSA-N
MW337.30 g/mol
LogP0.50
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide

2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 3464346) has the molecular formula C13H18F3N3O4 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID3464346
Molecular FormulaC13H18F3N3O4
Molecular Weight337.30 g/mol
Exact Mass337.12
IUPAC Name2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC1COC(=O)N1C1CCN(C(=O)CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3O4/c1-8-7-23-12(22)19(8)9-2-4-18(5-3-9)10(20)6-17-11(21)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,21)
InChIKeyHNDHTKMDYSKVNP-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[4-[(4,4-difluoropyrrolidin-2-yl)methyl]piperazin-1-yl]acetate
CID 23511818
(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 25054432
(2R,5R)-5-[[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 169741399
(2R,5R)-5-[[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-methylpiperazine-1-carboxylic acid
CID 169741400
N-[2-[4-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 3669319
N-[2-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 3681303
2,2,2-trifluoro-N-[2-[4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 3757323
Methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3766968
2,2,2-trifluoroethyl 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 53575397
Ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]piperidine-1-carboxylate
CID 60646631
2,2,2-trifluoroethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate
CID 63715712
N,N-dimethyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidin-1-yl]acetamide
CID 63828003

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide (CID 3464346) is 2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide is CC1COC(=O)N1C1CCN(C(=O)CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is HNDHTKMDYSKVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O4/c1-8-7-23-12(22)19(8)9-2-4-18(5-3-9)10(20)6-17-11(21)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,21).
What are the key properties of 2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 337.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 3464346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).