1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone

C20H22F3N3O2 — CID 23594809

IUPAC1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCOc1nccnc1CN1CCC(C(=O)Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H22F3N3O2/c1-28-19-17(24-8-9-25-19)13-26-10-6-14(7-11-26)18(27)12-15-4-2-3-5-16(15)20(21,22)23/h2-5,8-9,14H,6-7,10-13H2,1H3
InChIKeyGEDWIVSEPLTSAH-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.53
Rot. Bonds6

About 1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone

1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 23594809) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID23594809
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCOc1nccnc1CN1CCC(C(=O)Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H22F3N3O2/c1-28-19-17(24-8-9-25-19)13-26-10-6-14(7-11-26)18(27)12-15-4-2-3-5-16(15)20(21,22)23/h2-5,8-9,14H,6-7,10-13H2,1H3
InChIKeyGEDWIVSEPLTSAH-UHFFFAOYSA-N
XLogP3.53
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone (CID 23594809) is 1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone is COc1nccnc1CN1CCC(C(=O)Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is GEDWIVSEPLTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-28-19-17(24-8-9-25-19)13-26-10-6-14(7-11-26)18(27)12-15-4-2-3-5-16(15)20(21,22)23/h2-5,8-9,14H,6-7,10-13H2,1H3.
What are the key properties of 1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?
1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 393.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 23594809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).