phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate

C20H22N2O2 — CID 3234366

IUPACphenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC2(CC1)CN(c1ccccc1)C2
InChIInChI=1S/C20H22N2O2/c23-19(24-18-9-5-2-6-10-18)21-13-11-20(12-14-21)15-22(16-20)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyYOWUXRRJVBZRHQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.79
Rot. Bonds2

About phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate

phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 3234366) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namephenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID3234366
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Namephenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC2(CC1)CN(c1ccccc1)C2
InChIInChI=1S/C20H22N2O2/c23-19(24-18-9-5-2-6-10-18)21-13-11-20(12-14-21)15-22(16-20)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyYOWUXRRJVBZRHQ-UHFFFAOYSA-N
XLogP3.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 3234366) is phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate is O=C(Oc1ccccc1)N1CCC2(CC1)CN(c1ccccc1)C2.
What is the InChIKey of phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is YOWUXRRJVBZRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(24-18-9-5-2-6-10-18)21-13-11-20(12-14-21)15-22(16-20)17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 3234366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).