(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone

C21H27N3O3 — CID 91797813

IUPAC(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
SMILESCc1cc(COc2ccccc2)oc1C(=O)N1CCN2CCN(C)CC2C1
InChIInChI=1S/C21H27N3O3/c1-16-12-19(15-26-18-6-4-3-5-7-18)27-20(16)21(25)24-11-10-23-9-8-22(2)13-17(23)14-24/h3-7,12,17H,8-11,13-15H2,1-2H3
InChIKeyQGTQDCLHTZSRGW-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.24
Rot. Bonds4

About (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone

(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone (PubChem CID 91797813) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
PubChem CID91797813
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
SMILESCc1cc(COc2ccccc2)oc1C(=O)N1CCN2CCN(C)CC2C1
InChIInChI=1S/C21H27N3O3/c1-16-12-19(15-26-18-6-4-3-5-7-18)27-20(16)21(25)24-11-10-23-9-8-22(2)13-17(23)14-24/h3-7,12,17H,8-11,13-15H2,1-2H3
InChIKeyQGTQDCLHTZSRGW-UHFFFAOYSA-N
XLogP2.24
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone?
The IUPAC name of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone (CID 91797813) is (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone?
The canonical SMILES for (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone is Cc1cc(COc2ccccc2)oc1C(=O)N1CCN2CCN(C)CC2C1.
What is the InChIKey of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone?
The InChIKey is QGTQDCLHTZSRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-12-19(15-26-18-6-4-3-5-7-18)27-20(16)21(25)24-11-10-23-9-8-22(2)13-17(23)14-24/h3-7,12,17H,8-11,13-15H2,1-2H3.
What are the key properties of (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone?
(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 91797813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).