3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile

C18H21N3O3 — CID 97472861

IUPAC3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile
SMILESCOCCN1CC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1=O
InChIInChI=1S/C18H21N3O3/c1-24-10-9-21-13-18(17(21)23)5-7-20(8-6-18)16(22)15-4-2-3-14(11-15)12-19/h2-4,11H,5-10,13H2,1H3
InChIKeyDKFZSCSJOZMRRH-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.27
Rot. Bonds4

About 3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile

3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile (PubChem CID 97472861) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile
PubChem CID97472861
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile
SMILESCOCCN1CC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1=O
InChIInChI=1S/C18H21N3O3/c1-24-10-9-21-13-18(17(21)23)5-7-20(8-6-18)16(22)15-4-2-3-14(11-15)12-19/h2-4,11H,5-10,13H2,1H3
InChIKeyDKFZSCSJOZMRRH-UHFFFAOYSA-N
XLogP1.27
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 97472859
(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921168
2-(2-methoxyethyl)-8-(6-methylpyridine-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370193
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
3-(4-propanoylpiperazine-1-carbonyl)benzonitrile
CID 110817109
2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175643015
3-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carbonyl]benzonitrile
CID 71793167
(5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25299094
3-[8-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97370042
methyl 4-[4-(3-cyanobenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817851
3-[3-(methoxymethyl)piperidine-1-carbonyl]benzonitrile
CID 90504865

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile?
The IUPAC name of 3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile (CID 97472861) is 3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile.
What is the SMILES notation for 3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile?
The canonical SMILES for 3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile is COCCN1CC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1=O.
What is the InChIKey of 3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile?
The InChIKey is DKFZSCSJOZMRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-24-10-9-21-13-18(17(21)23)5-7-20(8-6-18)16(22)15-4-2-3-14(11-15)12-19/h2-4,11H,5-10,13H2,1H3.
What are the key properties of 3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile?
3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile has a molecular weight of 327.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carbonyl]benzonitrile is sourced from PubChem (CID 97472861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).