1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one

C17H26F3N5O — CID 129333246

IUPAC1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCC[C@H](NC3CCN(CC(F)(F)F)CC3)C2)c1=O
InChIInChI=1S/C17H26F3N5O/c1-23-10-6-21-15(16(23)26)25-7-2-3-14(11-25)22-13-4-8-24(9-5-13)12-17(18,19)20/h6,10,13-14,22H,2-5,7-9,11-12H2,1H3/t14-/m0/s1
InChIKeyFJHVKJTVYWQNHX-AWEZNQCLSA-N
MW373.42 g/mol
LogP1.37
Rot. Bonds4

About 1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one

1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one (PubChem CID 129333246) has the molecular formula C17H26F3N5O and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one
PubChem CID129333246
Molecular FormulaC17H26F3N5O
Molecular Weight373.42 g/mol
Exact Mass373.21
IUPAC Name1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one
SMILESCn1ccnc(N2CCC[C@H](NC3CCN(CC(F)(F)F)CC3)C2)c1=O
InChIInChI=1S/C17H26F3N5O/c1-23-10-6-21-15(16(23)26)25-7-2-3-14(11-25)22-13-4-8-24(9-5-13)12-17(18,19)20/h6,10,13-14,22H,2-5,7-9,11-12H2,1H3/t14-/m0/s1
InChIKeyFJHVKJTVYWQNHX-AWEZNQCLSA-N
XLogP1.37
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one (CID 129333246) is 1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one is Cn1ccnc(N2CCC[C@H](NC3CCN(CC(F)(F)F)CC3)C2)c1=O.
What is the InChIKey of 1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one?
The InChIKey is FJHVKJTVYWQNHX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26F3N5O/c1-23-10-6-21-15(16(23)26)25-7-2-3-14(11-25)22-13-4-8-24(9-5-13)12-17(18,19)20/h6,10,13-14,22H,2-5,7-9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one?
1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one has a molecular weight of 373.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]piperidin-1-yl]pyrazin-2-one is sourced from PubChem (CID 129333246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).