phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate

C21H24N2O2 — CID 3233953

IUPACphenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C21H24N2O2/c24-20(25-19-10-5-2-6-11-19)23-14-7-12-21(17-23)13-15-22(16-21)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2/t21-/m0/s1
InChIKeyVAIZKLUIVOWZJQ-NRFANRHFSA-N
MW336.44 g/mol
LogP4.18
Rot. Bonds2

About phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate

phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3233953) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namephenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3233953
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Namephenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C21H24N2O2/c24-20(25-19-10-5-2-6-11-19)23-14-7-12-21(17-23)13-15-22(16-21)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2/t21-/m0/s1
InChIKeyVAIZKLUIVOWZJQ-NRFANRHFSA-N
XLogP4.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3233953) is phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate is O=C(Oc1ccccc1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1.
What is the InChIKey of phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is VAIZKLUIVOWZJQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20(25-19-10-5-2-6-11-19)23-14-7-12-21(17-23)13-15-22(16-21)18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2/t21-/m0/s1.
What are the key properties of phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3233953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).