3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one

C16H18F3N5O — CID 129337236

IUPAC3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCC[C@H](NCc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C16H18F3N5O/c17-16(18,19)12-4-1-5-20-13(12)9-23-11-3-2-8-24(10-11)14-15(25)22-7-6-21-14/h1,4-7,11,23H,2-3,8-10H2,(H,22,25)/t11-/m0/s1
InChIKeyLJTSXPNKSNVTJQ-NSHDSACASA-N
MW353.35 g/mol
LogP1.94
Rot. Bonds4

About 3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one

3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 129337236) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is 3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID129337236
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCC[C@H](NCc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C16H18F3N5O/c17-16(18,19)12-4-1-5-20-13(12)9-23-11-3-2-8-24(10-11)14-15(25)22-7-6-21-14/h1,4-7,11,23H,2-3,8-10H2,(H,22,25)/t11-/m0/s1
InChIKeyLJTSXPNKSNVTJQ-NSHDSACASA-N
XLogP1.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one with MolForge

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Related Compounds

3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129474909
3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129475293
3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473298
3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129007063
3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1H-pyrazin-2-one
CID 128967013
(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 129473040
3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129332667
3-[(3S)-3-[[(2R)-1-methoxyhexan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129342939
3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473564
4-(2-oxo-1H-pyrazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 72907505
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 129476538
N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-indazole-3-carboxamide
CID 167764107

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one (CID 129337236) is 3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCC[C@H](NCc2ncccc2C(F)(F)F)C1.
What is the InChIKey of 3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is LJTSXPNKSNVTJQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H18F3N5O/c17-16(18,19)12-4-1-5-20-13(12)9-23-11-3-2-8-24(10-11)14-15(25)22-7-6-21-14/h1,4-7,11,23H,2-3,8-10H2,(H,22,25)/t11-/m0/s1.
What are the key properties of 3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 353.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 129337236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).