3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile

C21H25N3O4 — CID 131692647

IUPAC3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CC3(CC(OCC(=O)N4CCCC4)CCO3)C2)c1
InChIInChI=1S/C21H25N3O4/c22-12-16-4-3-5-17(10-16)20(26)24-14-21(15-24)11-18(6-9-28-21)27-13-19(25)23-7-1-2-8-23/h3-5,10,18H,1-2,6-9,11,13-15H2
InChIKeyGAPAIHNWSIRQMF-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.57
Rot. Bonds4

About 3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile

3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile (PubChem CID 131692647) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile
PubChem CID131692647
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CC3(CC(OCC(=O)N4CCCC4)CCO3)C2)c1
InChIInChI=1S/C21H25N3O4/c22-12-16-4-3-5-17(10-16)20(26)24-14-21(15-24)11-18(6-9-28-21)27-13-19(25)23-7-1-2-8-23/h3-5,10,18H,1-2,6-9,11,13-15H2
InChIKeyGAPAIHNWSIRQMF-UHFFFAOYSA-N
XLogP1.57
TPSA82.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one
CID 131692868
2-[[(8S)-2-[(2-chlorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124785582
2-[[2-[(6-methyl-2-pyridinyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 133145049
2-[[(8S)-2-[(4-methylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124813090
(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124801731
3-[7-(piperidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile
CID 131692689
2-[[2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 131650208
2-[[(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124807095
(3-hydroxyphenyl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692889
(3-methylphenyl)-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692648
1-pyrrolidin-1-yl-2-[[(8S)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]ethanone
CID 124785948
3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 110797001

Frequently Asked Questions

What is the IUPAC name of 3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile?
The IUPAC name of 3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile (CID 131692647) is 3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile.
What is the SMILES notation for 3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile?
The canonical SMILES for 3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile is N#Cc1cccc(C(=O)N2CC3(CC(OCC(=O)N4CCCC4)CCO3)C2)c1.
What is the InChIKey of 3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile?
The InChIKey is GAPAIHNWSIRQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c22-12-16-4-3-5-17(10-16)20(26)24-14-21(15-24)11-18(6-9-28-21)27-13-19(25)23-7-1-2-8-23/h3-5,10,18H,1-2,6-9,11,13-15H2.
What are the key properties of 3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile?
3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile has a molecular weight of 383.45 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonane-2-carbonyl]benzonitrile is sourced from PubChem (CID 131692647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).