2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

C20H30N4O2 — CID 70709936

IUPAC2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCCN(C4CCOCC4)C3)CCC2=O)cn1
InChIInChI=1S/C20H30N4O2/c1-16-11-22-17(12-21-16)13-24-15-20(7-3-19(24)25)6-2-8-23(14-20)18-4-9-26-10-5-18/h11-12,18H,2-10,13-15H2,1H3
InChIKeyVCTMVPURYAHVCM-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.17
Rot. Bonds3

About 2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70709936) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70709936
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCCN(C4CCOCC4)C3)CCC2=O)cn1
InChIInChI=1S/C20H30N4O2/c1-16-11-22-17(12-21-16)13-24-15-20(7-3-19(24)25)6-2-8-23(14-20)18-4-9-26-10-5-18/h11-12,18H,2-10,13-15H2,1H3
InChIKeyVCTMVPURYAHVCM-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.17
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]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70709936) is 2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCCN(C4CCOCC4)C3)CCC2=O)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is VCTMVPURYAHVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-16-11-22-17(12-21-16)13-24-15-20(7-3-19(24)25)6-2-8-23(14-20)18-4-9-26-10-5-18/h11-12,18H,2-10,13-15H2,1H3.
What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-[(5-methylpyrazin-2-yl)methyl]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.49 g/mol, XLogP of 2.17, 3 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]-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70709936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).