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

C25H30N4O2 — CID 16678619

IUPAC8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3cccnc3)C2=O)CC1
InChIInChI=1S/C25H30N4O2/c1-18(2)27-10-7-21(8-11-27)31-22-5-6-23-20(14-22)15-24-25(30)28(12-13-29(23)24)17-19-4-3-9-26-16-19/h3-6,9,14-16,18,21H,7-8,10-13,17H2,1-2H3
InChIKeyHBRVUVJCCFXDJC-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.94
Rot. Bonds5

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

8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 16678619) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one
PubChem CID16678619
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3cccnc3)C2=O)CC1
InChIInChI=1S/C25H30N4O2/c1-18(2)27-10-7-21(8-11-27)31-22-5-6-23-20(14-22)15-24-25(30)28(12-13-29(23)24)17-19-4-3-9-26-16-19/h3-6,9,14-16,18,21H,7-8,10-13,17H2,1-2H3
InChIKeyHBRVUVJCCFXDJC-UHFFFAOYSA-N
XLogP3.94
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 16678619) is 8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one is CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3cccnc3)C2=O)CC1.
What is the InChIKey of 8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
The InChIKey is HBRVUVJCCFXDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18(2)27-10-7-21(8-11-27)31-22-5-6-23-20(14-22)15-24-25(30)28(12-13-29(23)24)17-19-4-3-9-26-16-19/h3-6,9,14-16,18,21H,7-8,10-13,17H2,1-2H3.
What are the key properties of 8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 418.54 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-propan-2-ylpiperidin-4-yl)oxy-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 16678619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).