phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate

C24H27N3O2 — CID 3232878

IUPACphenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESN#Cc1ccc(CN2CCCC3(CCN(C(=O)Oc4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H27N3O2/c25-17-20-7-9-21(10-8-20)18-26-14-4-11-24(19-26)12-15-27(16-13-24)23(28)29-22-5-2-1-3-6-22/h1-3,5-10H,4,11-16,18-19H2
InChIKeyGUKBUJLDXORZQN-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.44
Rot. Bonds3

About phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate

phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3232878) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namephenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3232878
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Namephenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESN#Cc1ccc(CN2CCCC3(CCN(C(=O)Oc4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H27N3O2/c25-17-20-7-9-21(10-8-20)18-26-14-4-11-24(19-26)12-15-27(16-13-24)23(28)29-22-5-2-1-3-6-22/h1-3,5-10H,4,11-16,18-19H2
InChIKeyGUKBUJLDXORZQN-UHFFFAOYSA-N
XLogP4.44
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3232878) is phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate is N#Cc1ccc(CN2CCCC3(CCN(C(=O)Oc4ccccc4)CC3)C2)cc1.
What is the InChIKey of phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is GUKBUJLDXORZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c25-17-20-7-9-21(10-8-20)18-26-14-4-11-24(19-26)12-15-27(16-13-24)23(28)29-22-5-2-1-3-6-22/h1-3,5-10H,4,11-16,18-19H2.
What are the key properties of phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate?
phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(4-cyanophenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3232878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).