methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate

C22H26N2O2 — CID 3233218

IUPACmethyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C22H26N2O2/c1-26-21(25)23-14-12-22(13-15-23)16-24(17-22)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3
InChIKeyLFYDVSVCBLVHKM-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.94
Rot. Bonds3

About methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate

methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 3233218) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID3233218
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Namemethyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C22H26N2O2/c1-26-21(25)23-14-12-22(13-15-23)16-24(17-22)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3
InChIKeyLFYDVSVCBLVHKM-UHFFFAOYSA-N
XLogP3.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 3233218) is methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate is COC(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is LFYDVSVCBLVHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-21(25)23-14-12-22(13-15-23)16-24(17-22)20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3.
What are the key properties of methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzhydryl-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 3233218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).