7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C16H24N4O3 — CID 45226429

IUPAC7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O
InChIInChI=1S/C16H24N4O3/c1-12-10-13(18-17-12)14(21)20-7-5-16(11-20)4-3-6-19(15(16)22)8-9-23-2/h10H,3-9,11H2,1-2H3,(H,17,18)
InChIKeyNWCUMQGDUZEWEH-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.82
Rot. Bonds4

About 7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45226429) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45226429
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O
InChIInChI=1S/C16H24N4O3/c1-12-10-13(18-17-12)14(21)20-7-5-16(11-20)4-3-6-19(15(16)22)8-9-23-2/h10H,3-9,11H2,1-2H3,(H,17,18)
InChIKeyNWCUMQGDUZEWEH-UHFFFAOYSA-N
XLogP0.82
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45226429) is 7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C(=O)c3cc(C)[nH]n3)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NWCUMQGDUZEWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-10-13(18-17-12)14(21)20-7-5-16(11-20)4-3-6-19(15(16)22)8-9-23-2/h10H,3-9,11H2,1-2H3,(H,17,18).
What are the key properties of 7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 320.39 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45226429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).