3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

C13H16F3N3O4 — CID 163315541

IUPAC3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCC(OC(F)(F)F)CC2)c1=O
InChIInChI=1S/C13H16F3N3O4/c1-18-11(21)8(7-17-12(18)22)6-10(20)19-4-2-9(3-5-19)23-13(14,15)16/h7,9H,2-6H2,1H3,(H,17,22)
InChIKeyGWUUDNJVDOSNPH-UHFFFAOYSA-N
MW335.28 g/mol
LogP0.14
Rot. Bonds3

About 3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 163315541) has the molecular formula C13H16F3N3O4 and a molecular weight of 335.28 g/mol. Its IUPAC name is 3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID163315541
Molecular FormulaC13H16F3N3O4
Molecular Weight335.28 g/mol
Exact Mass335.11
IUPAC Name3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCC(OC(F)(F)F)CC2)c1=O
InChIInChI=1S/C13H16F3N3O4/c1-18-11(21)8(7-17-12(18)22)6-10(20)19-4-2-9(3-5-19)23-13(14,15)16/h7,9H,2-6H2,1H3,(H,17,22)
InChIKeyGWUUDNJVDOSNPH-UHFFFAOYSA-N
XLogP0.14
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 56877860
5-[2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 133124600
5-[2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 164695394
5-[2-(6-hydroxy-1,4-oxazepan-4-yl)-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 70734355
3-methyl-5-[2-oxo-2-[3-(2-phenylacetyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 70758226
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(trifluoromethoxy)piperidin-1-yl]ethanone
CID 163318390
3-methyl-5-[2-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 118790380
5-[2-[(3S)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 95208373
5-[2-[(3S)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 99951880
3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 56892297
4-(trifluoromethoxy)piperidine-1-carboxylic acid
CID 118662288
4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one
CID 172668959

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 163315541) is 3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CC(=O)N2CCC(OC(F)(F)F)CC2)c1=O.
What is the InChIKey of 3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is GWUUDNJVDOSNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O4/c1-18-11(21)8(7-17-12(18)22)6-10(20)19-4-2-9(3-5-19)23-13(14,15)16/h7,9H,2-6H2,1H3,(H,17,22).
What are the key properties of 3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 335.28 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163315541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).