4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile

C18H22N4O2 — CID 134073075

IUPAC4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
SMILESCN(C)CC(=O)N1CCC2(CC(=O)N(c3ccc(C#N)cc3)C2)C1
InChIInChI=1S/C18H22N4O2/c1-20(2)11-17(24)21-8-7-18(12-21)9-16(23)22(13-18)15-5-3-14(10-19)4-6-15/h3-6H,7-9,11-13H2,1-2H3
InChIKeyBMCOMODZTDVDGT-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.08
Rot. Bonds3

About 4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile

4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile (PubChem CID 134073075) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
PubChem CID134073075
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
SMILESCN(C)CC(=O)N1CCC2(CC(=O)N(c3ccc(C#N)cc3)C2)C1
InChIInChI=1S/C18H22N4O2/c1-20(2)11-17(24)21-8-7-18(12-21)9-16(23)22(13-18)15-5-3-14(10-19)4-6-15/h3-6H,7-9,11-13H2,1-2H3
InChIKeyBMCOMODZTDVDGT-UHFFFAOYSA-N
XLogP1.08
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2-(dimethylamino)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131661647
4-[3-oxo-7-(1H-pyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
CID 131681839
7-[2-(dimethylamino)acetyl]-2-(3-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155854850
7-(2-methoxyacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134073060
7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131652638
2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131691070
2-(4-methylphenyl)-7-(2-phenylacetyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 134070621
4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
CID 131654551
4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
CID 97399015
2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131691131
3-oxo-2-phenyl-N-propan-2-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118741086
7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131682245

Frequently Asked Questions

What is the IUPAC name of 4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile?
The IUPAC name of 4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile (CID 134073075) is 4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile.
What is the SMILES notation for 4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile?
The canonical SMILES for 4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile is CN(C)CC(=O)N1CCC2(CC(=O)N(c3ccc(C#N)cc3)C2)C1.
What is the InChIKey of 4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile?
The InChIKey is BMCOMODZTDVDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20(2)11-17(24)21-8-7-18(12-21)9-16(23)22(13-18)15-5-3-14(10-19)4-6-15/h3-6H,7-9,11-13H2,1-2H3.
What are the key properties of 4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile?
4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile has a molecular weight of 326.40 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile is sourced from PubChem (CID 134073075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).