4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide

C14H17F3N4O3 — CID 100689686

IUPAC4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)CC1=O
InChIInChI=1S/C14H17F3N4O3/c1-20-4-5-21(8-12(20)22)13(23)19-6-10-2-3-18-7-11(10)24-9-14(15,16)17/h2-3,7H,4-6,8-9H2,1H3,(H,19,23)
InChIKeyCHJLDIXGSIPVGP-UHFFFAOYSA-N
MW346.31 g/mol
LogP1.01
Rot. Bonds4

About 4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide

4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide (PubChem CID 100689686) has the molecular formula C14H17F3N4O3 and a molecular weight of 346.31 g/mol. Its IUPAC name is 4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide
PubChem CID100689686
Molecular FormulaC14H17F3N4O3
Molecular Weight346.31 g/mol
Exact Mass346.13
IUPAC Name4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)CC1=O
InChIInChI=1S/C14H17F3N4O3/c1-20-4-5-21(8-12(20)22)13(23)19-6-10-2-3-18-7-11(10)24-9-14(15,16)17/h2-3,7H,4-6,8-9H2,1H3,(H,19,23)
InChIKeyCHJLDIXGSIPVGP-UHFFFAOYSA-N
XLogP1.01
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
CID 100689737
N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide
CID 136541053
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
3-methyl-1-[(3-phenylmethoxy-4-pyridinyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122013955
N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide
CID 126799159
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
CID 126797164
3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride
CID 87259286
[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]boronic acid
CID 131699870
(3S,4S)-1-[(3-ethyl-4-pyridinyl)methylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122009451
ethyl 4-[N'-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163542
3'-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166197842
2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075003

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide (CID 100689686) is 4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide is CN1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)CC1=O.
What is the InChIKey of 4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide?
The InChIKey is CHJLDIXGSIPVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O3/c1-20-4-5-21(8-12(20)22)13(23)19-6-10-2-3-18-7-11(10)24-9-14(15,16)17/h2-3,7H,4-6,8-9H2,1H3,(H,19,23).
What are the key properties of 4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide?
4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 100689686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).