8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C19H25N3O2 — CID 16679518

IUPAC8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCNC2=O)CC1
InChIInChI=1S/C19H25N3O2/c1-13(2)21-8-5-15(6-9-21)24-16-3-4-17-14(11-16)12-18-19(23)20-7-10-22(17)18/h3-4,11-13,15H,5-10H2,1-2H3,(H,20,23)
InChIKeyAJUFRGDVXUPOOW-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.64
Rot. Bonds3

About 8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 16679518) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID16679518
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCNC2=O)CC1
InChIInChI=1S/C19H25N3O2/c1-13(2)21-8-5-15(6-9-21)24-16-3-4-17-14(11-16)12-18-19(23)20-7-10-22(17)18/h3-4,11-13,15H,5-10H2,1-2H3,(H,20,23)
InChIKeyAJUFRGDVXUPOOW-UHFFFAOYSA-N
XLogP2.64
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 16679518) is 8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCNC2=O)CC1.
What is the InChIKey of 8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is AJUFRGDVXUPOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)21-8-5-15(6-9-21)24-16-3-4-17-14(11-16)12-18-19(23)20-7-10-22(17)18/h3-4,11-13,15H,5-10H2,1-2H3,(H,20,23).
What are the key properties of 8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 16679518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).