6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one

C22H28N4O3 — CID 45216500

IUPAC6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one
SMILESCOc1cccc(CN2CCCC3(CCN(C(=O)c4ccc(=O)n(C)n4)C3)C2)c1
InChIInChI=1S/C22H28N4O3/c1-24-20(27)8-7-19(23-24)21(28)26-12-10-22(16-26)9-4-11-25(15-22)14-17-5-3-6-18(13-17)29-2/h3,5-8,13H,4,9-12,14-16H2,1-2H3
InChIKeyNZMQKORMDSUKEN-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.92
Rot. Bonds4

About 6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one

6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one (PubChem CID 45216500) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one
PubChem CID45216500
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one
SMILESCOc1cccc(CN2CCCC3(CCN(C(=O)c4ccc(=O)n(C)n4)C3)C2)c1
InChIInChI=1S/C22H28N4O3/c1-24-20(27)8-7-19(23-24)21(28)26-12-10-22(16-26)9-4-11-25(15-22)14-17-5-3-6-18(13-17)29-2/h3,5-8,13H,4,9-12,14-16H2,1-2H3
InChIKeyNZMQKORMDSUKEN-UHFFFAOYSA-N
XLogP1.92
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 97482697
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
methyl 4-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]benzoate
CID 25452913
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 45209753
1-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(tetrazol-1-yl)propan-1-one
CID 45204167
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97482761
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45206155
[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 45197321
1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
CID 25309622
[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45191159

Frequently Asked Questions

What is the IUPAC name of 6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one (CID 45216500) is 6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one is COc1cccc(CN2CCCC3(CCN(C(=O)c4ccc(=O)n(C)n4)C3)C2)c1.
What is the InChIKey of 6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is NZMQKORMDSUKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-24-20(27)8-7-19(23-24)21(28)26-12-10-22(16-26)9-4-11-25(15-22)14-17-5-3-6-18(13-17)29-2/h3,5-8,13H,4,9-12,14-16H2,1-2H3.
What are the key properties of 6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one?
6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 396.49 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 45216500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).