4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one

C15H16F3N3O3 — CID 136565206

IUPAC4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(C3CC3)[nH]c2=O)CCN1CC(F)(F)F
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)8-21-6-5-20(7-12(21)22)14(24)10-3-4-11(9-1-2-9)19-13(10)23/h3-4,9H,1-2,5-8H2,(H,19,23)
InChIKeyOPIVHGIDAVINNQ-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.10
Rot. Bonds3

About 4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one

4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one (PubChem CID 136565206) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is 4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one
PubChem CID136565206
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Name4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(C3CC3)[nH]c2=O)CCN1CC(F)(F)F
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)8-21-6-5-20(7-12(21)22)14(24)10-3-4-11(9-1-2-9)19-13(10)23/h3-4,9H,1-2,5-8H2,(H,19,23)
InChIKeyOPIVHGIDAVINNQ-UHFFFAOYSA-N
XLogP1.10
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one with MolForge

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Related Compounds

4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 138023947
6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563629
6-cyclopropyl-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563424
5-ethyl-3-[[4-fluoro-3-[3-oxo-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one;2,2,2-trifluoroacetic acid
CID 171924110
3-(4-hydroxypiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 43416114
6-cyclopropyl-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563551
6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 136563727
6-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]-2-oxo-1H-pyridine-3-carboxamide
CID 125491223
3-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 79403200
3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
CID 115923902
1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63032313
3-(3-hydroxyazetidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 63104545

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The IUPAC name of 4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one (CID 136565206) is 4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one.
What is the SMILES notation for 4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The canonical SMILES for 4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one is O=C1CN(C(=O)c2ccc(C3CC3)[nH]c2=O)CCN1CC(F)(F)F.
What is the InChIKey of 4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The InChIKey is OPIVHGIDAVINNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c16-15(17,18)8-21-6-5-20(7-12(21)22)14(24)10-3-4-11(9-1-2-9)19-13(10)23/h3-4,9H,1-2,5-8H2,(H,19,23).
What are the key properties of 4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one?
4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one has a molecular weight of 343.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one is sourced from PubChem (CID 136565206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).