3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one

C19H28N4O3 — CID 172666555

IUPAC3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)N1CCN2CCOCC2C1
InChIInChI=1S/C19H28N4O3/c1-14-4-7-23(15-2-5-20-6-3-15)19(25)17(14)18(24)22-9-8-21-10-11-26-13-16(21)12-22/h4,7,15-16,20H,2-3,5-6,8-13H2,1H3
InChIKeySQAWQQPEDPMEPL-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.24
Rot. Bonds2

About 3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one

3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one (PubChem CID 172666555) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one
PubChem CID172666555
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)N1CCN2CCOCC2C1
InChIInChI=1S/C19H28N4O3/c1-14-4-7-23(15-2-5-20-6-3-15)19(25)17(14)18(24)22-9-8-21-10-11-26-13-16(21)12-22/h4,7,15-16,20H,2-3,5-6,8-13H2,1H3
InChIKeySQAWQQPEDPMEPL-UHFFFAOYSA-N
XLogP0.24
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one?
The IUPAC name of 3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one (CID 172666555) is 3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one.
What is the SMILES notation for 3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one?
The canonical SMILES for 3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)N1CCN2CCOCC2C1.
What is the InChIKey of 3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one?
The InChIKey is SQAWQQPEDPMEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-14-4-7-23(15-2-5-20-6-3-15)19(25)17(14)18(24)22-9-8-21-10-11-26-13-16(21)12-22/h4,7,15-16,20H,2-3,5-6,8-13H2,1H3.
What are the key properties of 3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one?
3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one has a molecular weight of 360.46 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one is sourced from PubChem (CID 172666555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).