1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione

C20H28N2O3 — CID 50964654

IUPAC1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)N2CCC3(CCN(C)C3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-21-12-9-20(15-21)10-13-22(14-11-20)19(24)8-7-18(23)16-3-5-17(25-2)6-4-16/h3-6H,7-15H2,1-2H3
InChIKeyXWZCDOKHZHAGNY-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.60
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione

1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione (PubChem CID 50964654) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione
PubChem CID50964654
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)N2CCC3(CCN(C)C3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-21-12-9-20(15-21)10-13-22(14-11-20)19(24)8-7-18(23)16-3-5-17(25-2)6-4-16/h3-6H,7-15H2,1-2H3
InChIKeyXWZCDOKHZHAGNY-UHFFFAOYSA-N
XLogP2.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione with MolForge

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Related Compounds

1-[(4R)-4-hydroxy-4-methylazepan-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 99946284
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 133125787
1-(4-methoxyphenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119401755
ethyl 4-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperazine-1-carboxylate
CID 6620519
1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119374647
1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735847
1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97449095
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 167881078
(2S)-1-[4-(4-methoxyphenyl)-4-oxobutanoyl]-2-methylpyrrolidine-2-carboxamide
CID 146101887
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 110629105
3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 112534338

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione?
The IUPAC name of 1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione (CID 50964654) is 1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione is COc1ccc(C(=O)CCC(=O)N2CCC3(CCN(C)C3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione?
The InChIKey is XWZCDOKHZHAGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-21-12-9-20(15-21)10-13-22(14-11-20)19(24)8-7-18(23)16-3-5-17(25-2)6-4-16/h3-6H,7-15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione?
1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione has a molecular weight of 344.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)butane-1,4-dione is sourced from PubChem (CID 50964654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).