2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile

C23H24N2O2 — CID 121496958

IUPAC2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(C(=O)N2CCCC3(CCOCC3)C2)cc1
InChIInChI=1S/C23H24N2O2/c24-16-20-4-1-2-5-21(20)18-6-8-19(9-7-18)22(26)25-13-3-10-23(17-25)11-14-27-15-12-23/h1-2,4-9H,3,10-15,17H2
InChIKeyZATAUUMFLUAVJJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.26
Rot. Bonds2

About 2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile

2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile (PubChem CID 121496958) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile
PubChem CID121496958
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(C(=O)N2CCCC3(CCOCC3)C2)cc1
InChIInChI=1S/C23H24N2O2/c24-16-20-4-1-2-5-21(20)18-6-8-19(9-7-18)22(26)25-13-3-10-23(17-25)11-14-27-15-12-23/h1-2,4-9H,3,10-15,17H2
InChIKeyZATAUUMFLUAVJJ-UHFFFAOYSA-N
XLogP4.26
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]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

2-[4-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 126423979
(4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 91830346
2-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 126453381
1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-2-phenylsulfanylethanone
CID 91839939
3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one
CID 72876722
(5-benzyl-2-pyridinyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 166265700
1-[2-(4-thiophen-2-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97448869
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-4-(2-cyanophenyl)benzamide
CID 171631086
4-[4-(2-cyanophenyl)benzoyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 166316432
1-(2-cyanobenzoyl)-3-methylpiperidine-3-carbonitrile
CID 90650999
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142434

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile?
The IUPAC name of 2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile (CID 121496958) is 2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile?
The canonical SMILES for 2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(C(=O)N2CCCC3(CCOCC3)C2)cc1.
What is the InChIKey of 2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile?
The InChIKey is ZATAUUMFLUAVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c24-16-20-4-1-2-5-21(20)18-6-8-19(9-7-18)22(26)25-13-3-10-23(17-25)11-14-27-15-12-23/h1-2,4-9H,3,10-15,17H2.
What are the key properties of 2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile?
2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile has a molecular weight of 360.46 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-oxa-2-azaspiro[5.5]undecane-2-carbonyl)phenyl]benzonitrile is sourced from PubChem (CID 121496958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).