7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C16H22N4O4 — CID 72907360

IUPAC7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1=O
InChIInChI=1S/C16H22N4O4/c1-24-8-7-19-5-2-3-16(15(19)23)4-6-20(11-16)14(22)12-9-18-13(21)10-17-12/h9-10H,2-8,11H2,1H3,(H,18,21)
InChIKeyWEUANHKNPWOHNB-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.13
Rot. Bonds4

About 7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72907360) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72907360
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1=O
InChIInChI=1S/C16H22N4O4/c1-24-8-7-19-5-2-3-16(15(19)23)4-6-20(11-16)14(22)12-9-18-13(21)10-17-12/h9-10H,2-8,11H2,1H3,(H,18,21)
InChIKeyWEUANHKNPWOHNB-UHFFFAOYSA-N
XLogP-0.13
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72907360) is 7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WEUANHKNPWOHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-24-8-7-19-5-2-3-16(15(19)23)4-6-20(11-16)14(22)12-9-18-13(21)10-17-12/h9-10H,2-8,11H2,1H3,(H,18,21).
What are the key properties of 7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 334.38 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-(6-oxo-1H-pyrazine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72907360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).