methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate

C23H28N2O2 — CID 3233270

IUPACmethyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1
InChIInChI=1S/C23H28N2O2/c1-27-22(26)24-15-12-23(13-16-24)11-6-14-25(18-23)21-10-5-9-20(17-21)19-7-3-2-4-8-19/h2-5,7-10,17H,6,11-16,18H2,1H3
InChIKeyCMQNTGHXNBJZTN-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.80
Rot. Bonds2

About methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate

methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3233270) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3233270
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Namemethyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1
InChIInChI=1S/C23H28N2O2/c1-27-22(26)24-15-12-23(13-16-24)11-6-14-25(18-23)21-10-5-9-20(17-21)19-7-3-2-4-8-19/h2-5,7-10,17H,6,11-16,18H2,1H3
InChIKeyCMQNTGHXNBJZTN-UHFFFAOYSA-N
XLogP4.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3233270) is methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate is COC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1.
What is the InChIKey of methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is CMQNTGHXNBJZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-22(26)24-15-12-23(13-16-24)11-6-14-25(18-23)21-10-5-9-20(17-21)19-7-3-2-4-8-19/h2-5,7-10,17H,6,11-16,18H2,1H3.
What are the key properties of methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 364.49 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenylphenyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3233270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).