1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C15H18F3N5O2 — CID 86807930

IUPAC1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESO=C1CN(C(=O)C2CCN(c3cnccn3)CC2)CN1CC(F)(F)F
InChIInChI=1S/C15H18F3N5O2/c16-15(17,18)9-23-10-22(8-13(23)24)14(25)11-1-5-21(6-2-11)12-7-19-3-4-20-12/h3-4,7,11H,1-2,5-6,8-10H2
InChIKeyNCONGPKARIKOFT-UHFFFAOYSA-N
MW357.34 g/mol
LogP0.88
Rot. Bonds3

About 1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 86807930) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID86807930
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESO=C1CN(C(=O)C2CCN(c3cnccn3)CC2)CN1CC(F)(F)F
InChIInChI=1S/C15H18F3N5O2/c16-15(17,18)9-23-10-22(8-13(23)24)14(25)11-1-5-21(6-2-11)12-7-19-3-4-20-12/h3-4,7,11H,1-2,5-6,8-10H2
InChIKeyNCONGPKARIKOFT-UHFFFAOYSA-N
XLogP0.88
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-pyrazin-2-ylpiperidine-4-carboxamide
CID 45832953
N-[2-(pyrazin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502105
N1-((1-(pyrazin-2-yl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 71786355
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]butan-1-one
CID 97508725
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one
CID 97508727
2-(2,5-dioxopyrrolidin-1-yl)-N-((1-(pyrazin-2-yl)piperidin-4-yl)methyl)acetamide
CID 71786560
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 127023071
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one;2,2,2-trifluoroacetic acid
CID 127023975
Cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 131638562
2,2,3,3,4,4,4-Heptafluoro-1-[4-(pyrazin-2-yl)piperazin-1-yl]butan-1-one
CID 20466204
1-(3,3-Difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone
CID 67000785
1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one
CID 171523823

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 86807930) is 1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is O=C1CN(C(=O)C2CCN(c3cnccn3)CC2)CN1CC(F)(F)F.
What is the InChIKey of 1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is NCONGPKARIKOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c16-15(17,18)9-23-10-22(8-13(23)24)14(25)11-1-5-21(6-2-11)12-7-19-3-4-20-12/h3-4,7,11H,1-2,5-6,8-10H2.
What are the key properties of 1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 357.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrazin-2-ylpiperidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 86807930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).