2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H32N4O2 — CID 70749036

IUPAC2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCC2=O)CCN(CCC2CCOC2)CC3)cn1
InChIInChI=1S/C21H32N4O2/c1-17-12-23-19(13-22-17)14-25-16-21(5-2-20(25)26)6-9-24(10-7-21)8-3-18-4-11-27-15-18/h12-13,18H,2-11,14-16H2,1H3
InChIKeyAIBGYFWMRQEHSR-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.42
Rot. Bonds5

About 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70749036) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70749036
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCC2=O)CCN(CCC2CCOC2)CC3)cn1
InChIInChI=1S/C21H32N4O2/c1-17-12-23-19(13-22-17)14-25-16-21(5-2-20(25)26)6-9-24(10-7-21)8-3-18-4-11-27-15-18/h12-13,18H,2-11,14-16H2,1H3
InChIKeyAIBGYFWMRQEHSR-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70749036) is 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCC2=O)CCN(CCC2CCOC2)CC3)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AIBGYFWMRQEHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-17-12-23-19(13-22-17)14-25-16-21(5-2-20(25)26)6-9-24(10-7-21)8-3-18-4-11-27-15-18/h12-13,18H,2-11,14-16H2,1H3.
What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.51 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-(oxolan-3-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70749036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).