3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one

C20H30N2O3 — CID 155655261

IUPAC3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCCC1CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2
InChIInChI=1S/C20H30N2O3/c1-24-13-3-4-16-9-11-20(12-10-16)15-22(19(23)21-20)14-17-5-7-18(25-2)8-6-17/h5-8,16H,3-4,9-15H2,1-2H3,(H,21,23)
InChIKeyQDUHFOAFHGINGV-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.58
Rot. Bonds7

About 3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one

3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 155655261) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID155655261
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCCC1CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2
InChIInChI=1S/C20H30N2O3/c1-24-13-3-4-16-9-11-20(12-10-16)15-22(19(23)21-20)14-17-5-7-18(25-2)8-6-17/h5-8,16H,3-4,9-15H2,1-2H3,(H,21,23)
InChIKeyQDUHFOAFHGINGV-UHFFFAOYSA-N
XLogP3.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one
CID 130200574
8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130200930
2-(dimethylamino)-2-(3-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-5,7-diazaspiro[3.4]octan-6-one
CID 137407670
3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098655
2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 139370877
3-benzyl-8-[2-cyclobutylethyl(methyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 156757577
1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one
CID 162057655
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
3-(4-methoxyphenyl)-5-[[4-(3-methoxypropyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 25280159
(7R)-7-(dimethylamino)-1-[(4-methoxyphenyl)methyl]-7-(3-methoxypropyl)-3-methyl-1,3-diazacycloundecan-2-one
CID 170235663
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 3455499

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one (CID 155655261) is 3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one is COCCCC1CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is QDUHFOAFHGINGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-24-13-3-4-16-9-11-20(12-10-16)15-22(19(23)21-20)14-17-5-7-18(25-2)8-6-17/h5-8,16H,3-4,9-15H2,1-2H3,(H,21,23).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one?
3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 346.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155655261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).