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

C23H28N2O2 — CID 3233240

IUPACmethyl 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2
InChIInChI=1S/C23H28N2O2/c1-27-22(26)25-16-12-23(13-17-25)10-14-24(15-11-23)21-9-5-8-20(18-21)19-6-3-2-4-7-19/h2-9,18H,10-17H2,1H3
InChIKeyWHDVKHSAOXGSQB-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.80
Rot. Bonds2

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

methyl 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 3233240) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is methyl 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID3233240
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Namemethyl 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2
InChIInChI=1S/C23H28N2O2/c1-27-22(26)25-16-12-23(13-17-25)10-14-24(15-11-23)21-9-5-8-20(18-21)19-6-3-2-4-7-19/h2-9,18H,10-17H2,1H3
InChIKeyWHDVKHSAOXGSQB-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 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of methyl 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 3233240) is methyl 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for methyl 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for methyl 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is COC(=O)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2.
What is the InChIKey of methyl 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is WHDVKHSAOXGSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-22(26)25-16-12-23(13-17-25)10-14-24(15-11-23)21-9-5-8-20(18-21)19-6-3-2-4-7-19/h2-9,18H,10-17H2,1H3.
What are the key properties of methyl 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
methyl 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-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 9-(3-phenylphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 3233240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).