2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one

C26H30FN3O2 — CID 16678615

IUPAC2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3cccc(F)c3)C2=O)CC1
InChIInChI=1S/C26H30FN3O2/c1-18(2)28-10-8-22(9-11-28)32-23-6-7-24-20(15-23)16-25-26(31)29(12-13-30(24)25)17-19-4-3-5-21(27)14-19/h3-7,14-16,18,22H,8-13,17H2,1-2H3
InChIKeyYWRUWMBYWLUSJM-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.69
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one

2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 16678615) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one
PubChem CID16678615
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Name2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3cccc(F)c3)C2=O)CC1
InChIInChI=1S/C26H30FN3O2/c1-18(2)28-10-8-22(9-11-28)32-23-6-7-24-20(15-23)16-25-26(31)29(12-13-30(24)25)17-19-4-3-5-21(27)14-19/h3-7,14-16,18,22H,8-13,17H2,1-2H3
InChIKeyYWRUWMBYWLUSJM-UHFFFAOYSA-N
XLogP4.69
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 16678615) is 2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one is CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3cccc(F)c3)C2=O)CC1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
The InChIKey is YWRUWMBYWLUSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-18(2)28-10-8-22(9-11-28)32-23-6-7-24-20(15-23)16-25-26(31)29(12-13-30(24)25)17-19-4-3-5-21(27)14-19/h3-7,14-16,18,22H,8-13,17H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 435.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 16678615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).