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

C26H30FN3O2 — CID 16678514

IUPAC2-[(2-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(Cc3ccccc3F)C2=O)CC1
InChIInChI=1S/C26H30FN3O2/c1-18(2)28-11-9-21(10-12-28)32-22-7-8-24-20(15-22)16-25-26(31)29(13-14-30(24)25)17-19-5-3-4-6-23(19)27/h3-8,15-16,18,21H,9-14,17H2,1-2H3
InChIKeyRSBVKZRTPBAMAK-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.69
Rot. Bonds5

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

2-[(2-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 16678514) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one
PubChem CID16678514
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Name2-[(2-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(Cc3ccccc3F)C2=O)CC1
InChIInChI=1S/C26H30FN3O2/c1-18(2)28-11-9-21(10-12-28)32-22-7-8-24-20(15-22)16-25-26(31)29(13-14-30(24)25)17-19-5-3-4-6-23(19)27/h3-8,15-16,18,21H,9-14,17H2,1-2H3
InChIKeyRSBVKZRTPBAMAK-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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Related Compounds

Asp-9521
CID 25210792
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
CID 87372
[4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium
CID 446978
N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876
3-{5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl}-1,2-dihydroquinolin-2-one
CID 5329373
5-(benzyloxy)-N,1-bis[(3-carbamimidoylphenyl)methyl]-1H-indole-2-carboxamide
CID 10907552
2-(5-methoxy-2-methyl-1-{[2-(pentyloxy)phenyl]methyl}-1H-indol-3-yl)acetamide
CID 24860461
(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol
CID 71522495
(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 11503379
(3-hydroxypyrrolidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)methanone
CID 11566918
(4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)methanone
CID 11663122

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 16678514) is 2-[(2-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-[(2-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for 2-[(2-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(Cc3ccccc3F)C2=O)CC1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
The InChIKey is RSBVKZRTPBAMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-18(2)28-11-9-21(10-12-28)32-22-7-8-24-20(15-22)16-25-26(31)29(13-14-30(24)25)17-19-5-3-4-6-23(19)27/h3-8,15-16,18,21H,9-14,17H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
2-[(2-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-[(2-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 16678514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).