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[6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

C18H28N6O2 — CID 155919678

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(N3C[C@@H]4COC[C@H](C3)N(C)C4)n2)CC1
InChIInChI=1S/C18H28N6O2/c1-21-3-5-23(6-4-21)18(25)16-7-19-8-17(20-16)24-10-14-9-22(2)15(11-24)13-26-12-14/h7-8,14-15H,3-6,9-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyDSQMXWULSOXVJX-CABCVRRESA-N
MW360.46 g/mol
LogP-0.37
Rot. Bonds2

About [6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

[6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 155919678) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID155919678
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name[6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(N3C[C@@H]4COC[C@H](C3)N(C)C4)n2)CC1
InChIInChI=1S/C18H28N6O2/c1-21-3-5-23(6-4-21)18(25)16-7-19-8-17(20-16)24-10-14-9-22(2)15(11-24)13-26-12-14/h7-8,14-15H,3-6,9-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyDSQMXWULSOXVJX-CABCVRRESA-N
XLogP-0.37
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 155919678) is [6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cncc(N3C[C@@H]4COC[C@H](C3)N(C)C4)n2)CC1.
What is the InChIKey of [6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DSQMXWULSOXVJX-CABCVRRESA-N. The full InChI is InChI=1S/C18H28N6O2/c1-21-3-5-23(6-4-21)18(25)16-7-19-8-17(20-16)24-10-14-9-22(2)15(11-24)13-26-12-14/h7-8,14-15H,3-6,9-13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of [6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 155919678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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