methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate

C24H30N2O2 — CID 3235052

IUPACmethyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CCN(C(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C24H30N2O2/c1-28-23(27)26-18-14-24(15-19-26)12-16-25(17-13-24)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,22H,12-19H2,1H3
InChIKeyNSVRWUQZQQPFCJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.72
Rot. Bonds3

About methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate

methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 3235052) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID3235052
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Namemethyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CCN(C(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C24H30N2O2/c1-28-23(27)26-18-14-24(15-19-26)12-16-25(17-13-24)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,22H,12-19H2,1H3
InChIKeyNSVRWUQZQQPFCJ-UHFFFAOYSA-N
XLogP4.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 3235052) is methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate is COC(=O)N1CCC2(CC1)CCN(C(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is NSVRWUQZQQPFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-23(27)26-18-14-24(15-19-26)12-16-25(17-13-24)22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,22H,12-19H2,1H3.
What are the key properties of methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 378.52 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-benzhydryl-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 3235052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).