2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

C18H24N4O2 — CID 91917264

IUPAC2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESCC1CCCN(C(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)C1
InChIInChI=1S/C18H24N4O2/c1-13-5-4-8-20(11-13)16(23)12-21-9-10-22-17(18(21)24)14-6-2-3-7-15(14)19-22/h9-10,13H,2-8,11-12H2,1H3
InChIKeyQRZYJQYHAVTOST-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.63
Rot. Bonds2

About 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (PubChem CID 91917264) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.

Molecular Properties

Compound Name2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
PubChem CID91917264
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESCC1CCCN(C(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)C1
InChIInChI=1S/C18H24N4O2/c1-13-5-4-8-20(11-13)16(23)12-21-9-10-22-17(18(21)24)14-6-2-3-7-15(14)19-22/h9-10,13H,2-8,11-12H2,1H3
InChIKeyQRZYJQYHAVTOST-UHFFFAOYSA-N
XLogP1.63
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The IUPAC name of 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (CID 91917264) is 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.
What is the SMILES notation for 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The canonical SMILES for 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is CC1CCCN(C(=O)Cn2ccn3nc4c(c3c2=O)CCCC4)C1.
What is the InChIKey of 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The InChIKey is QRZYJQYHAVTOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-5-4-8-20(11-13)16(23)12-21-9-10-22-17(18(21)24)14-6-2-3-7-15(14)19-22/h9-10,13H,2-8,11-12H2,1H3.
What are the key properties of 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is sourced from PubChem (CID 91917264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).