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

C22H31N3O2 — CID 16678214

IUPAC2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(C(C)C)C2=O)CC1
InChIInChI=1S/C22H31N3O2/c1-15(2)23-9-7-18(8-10-23)27-19-5-6-20-17(13-19)14-21-22(26)24(16(3)4)11-12-25(20)21/h5-6,13-16,18H,7-12H2,1-4H3
InChIKeySMRRGJLLFFKDID-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.76
Rot. Bonds4

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

2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 16678214) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one
PubChem CID16678214
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(C(C)C)C2=O)CC1
InChIInChI=1S/C22H31N3O2/c1-15(2)23-9-7-18(8-10-23)27-19-5-6-20-17(13-19)14-21-22(26)24(16(3)4)11-12-25(20)21/h5-6,13-16,18H,7-12H2,1-4H3
InChIKeySMRRGJLLFFKDID-UHFFFAOYSA-N
XLogP3.76
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
The IUPAC name of 2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 16678214) is 2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for 2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one is CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(C(C)C)C2=O)CC1.
What is the InChIKey of 2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
The InChIKey is SMRRGJLLFFKDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-15(2)23-9-7-18(8-10-23)27-19-5-6-20-17(13-19)14-21-22(26)24(16(3)4)11-12-25(20)21/h5-6,13-16,18H,7-12H2,1-4H3.
What are the key properties of 2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 369.51 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 16678214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).