phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

C22H26N2O2 — CID 3235440

IUPACphenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC2(CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C22H26N2O2/c25-21(26-20-10-5-2-6-11-20)23-16-13-22(14-17-23)12-7-15-24(18-22)19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2
InChIKeyNHGKNFKPVPCJSE-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.57
Rot. Bonds2

About phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3235440) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namephenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3235440
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Namephenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC2(CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C22H26N2O2/c25-21(26-20-10-5-2-6-11-20)23-16-13-22(14-17-23)12-7-15-24(18-22)19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2
InChIKeyNHGKNFKPVPCJSE-UHFFFAOYSA-N
XLogP4.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3235440) is phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is O=C(Oc1ccccc1)N1CCC2(CCCN(c3ccccc3)C2)CC1.
What is the InChIKey of phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is NHGKNFKPVPCJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-21(26-20-10-5-2-6-11-20)23-16-13-22(14-17-23)12-7-15-24(18-22)19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2.
What are the key properties of phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3235440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).