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

C18H28N4O2 — CID 70739436

IUPAC9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1
InChIInChI=1S/C18H28N4O2/c1-15-11-20-16(12-19-15)13-22-14-18(4-3-17(22)23)5-7-21(8-6-18)9-10-24-2/h11-12H,3-10,13-14H2,1-2H3
InChIKeyNICYNNWGNKIERX-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.64
Rot. Bonds5

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

9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70739436) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70739436
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1
InChIInChI=1S/C18H28N4O2/c1-15-11-20-16(12-19-15)13-22-14-18(4-3-17(22)23)5-7-21(8-6-18)9-10-24-2/h11-12H,3-10,13-14H2,1-2H3
InChIKeyNICYNNWGNKIERX-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70739436) is 9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1.
What is the InChIKey of 9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NICYNNWGNKIERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15-11-20-16(12-19-15)13-22-14-18(4-3-17(22)23)5-7-21(8-6-18)9-10-24-2/h11-12H,3-10,13-14H2,1-2H3.
What are the key properties of 9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.45 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70739436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).