7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

C20H26N4O4 — CID 131672334

IUPAC7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CN(C(=O)Cc3ccco3)CC2c2cn(C)cn2)C1=O
InChIInChI=1S/C20H26N4O4/c1-22-12-17(21-14-22)16-11-24(18(25)10-15-4-3-8-28-15)13-20(16)5-6-23(19(20)26)7-9-27-2/h3-4,8,12,14,16H,5-7,9-11,13H2,1-2H3
InChIKeyMCQIEQGNNKQNPO-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.05
Rot. Bonds6

About 7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131672334) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131672334
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CN(C(=O)Cc3ccco3)CC2c2cn(C)cn2)C1=O
InChIInChI=1S/C20H26N4O4/c1-22-12-17(21-14-22)16-11-24(18(25)10-15-4-3-8-28-15)13-20(16)5-6-23(19(20)26)7-9-27-2/h3-4,8,12,14,16H,5-7,9-11,13H2,1-2H3
InChIKeyMCQIEQGNNKQNPO-UHFFFAOYSA-N
XLogP1.05
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyethyl)-7-methyl-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669847
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(3-pyrimidin-5-ylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131687935
(5S,9S)-7-(6-ethylpyridine-3-carbonyl)-2-(2-methoxyethyl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131687891
7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155842700
2-(2-methoxyethyl)-7-[(6-methyl-2-pyridinyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;tris(2,2,2-trifluoroacetic acid)
CID 155860990
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1H-pyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131687823
N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 70746578
2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977307
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155826254
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-(1-methylcyclohex-3-ene-1-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131687886
(5S)-9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896591
7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672362

Frequently Asked Questions

What is the IUPAC name of 7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 131672334) is 7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CCC2(CN(C(=O)Cc3ccco3)CC2c2cn(C)cn2)C1=O.
What is the InChIKey of 7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is MCQIEQGNNKQNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-22-12-17(21-14-22)16-11-24(18(25)10-15-4-3-8-28-15)13-20(16)5-6-23(19(20)26)7-9-27-2/h3-4,8,12,14,16H,5-7,9-11,13H2,1-2H3.
What are the key properties of 7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 386.45 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131672334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).