methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate

C16H22N2O2 — CID 3234138

IUPACmethyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C16H22N2O2/c1-20-15(19)18-10-5-8-16(13-18)9-11-17(12-16)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t16-/m0/s1
InChIKeyGCNCWQOONQMPQH-INIZCTEOSA-N
MW274.36 g/mol
LogP2.75
Rot. Bonds1

About methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate

methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3234138) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3234138
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namemethyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C16H22N2O2/c1-20-15(19)18-10-5-8-16(13-18)9-11-17(12-16)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t16-/m0/s1
InChIKeyGCNCWQOONQMPQH-INIZCTEOSA-N
XLogP2.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-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 (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3234138) is methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate is COC(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1.
What is the InChIKey of methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is GCNCWQOONQMPQH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-15(19)18-10-5-8-16(13-18)9-11-17(12-16)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3/t16-/m0/s1.
What are the key properties of methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-2-phenyl-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3234138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).