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

C21H29N3O3 — CID 16678725

IUPAC2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(CCO)C2=O)CC1
InChIInChI=1S/C21H29N3O3/c1-15(2)22-7-5-17(6-8-22)27-18-3-4-19-16(13-18)14-20-21(26)23(11-12-25)9-10-24(19)20/h3-4,13-15,17,25H,5-12H2,1-2H3
InChIKeyJGXWDNPDGKMFIY-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.34
Rot. Bonds5

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

2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 16678725) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one
PubChem CID16678725
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(CCO)C2=O)CC1
InChIInChI=1S/C21H29N3O3/c1-15(2)22-7-5-17(6-8-22)27-18-3-4-19-16(13-18)14-20-21(26)23(11-12-25)9-10-24(19)20/h3-4,13-15,17,25H,5-12H2,1-2H3
InChIKeyJGXWDNPDGKMFIY-UHFFFAOYSA-N
XLogP2.34
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
The IUPAC name of 2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 16678725) is 2-(2-hydroxyethyl)-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-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for 2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one is CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(CCO)C2=O)CC1.
What is the InChIKey of 2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
The InChIKey is JGXWDNPDGKMFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15(2)22-7-5-17(6-8-22)27-18-3-4-19-16(13-18)14-20-21(26)23(11-12-25)9-10-24(19)20/h3-4,13-15,17,25H,5-12H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one?
2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 371.48 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 16678725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).