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

C23H28N2O2 — CID 3232785

IUPACmethyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C23H28N2O2/c1-27-22(26)25-15-8-13-23(18-25)14-16-24(17-23)21(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21H,8,13-18H2,1H3/t23-/m0/s1
InChIKeyKKPYYEIHMSFECK-QHCPKHFHSA-N
MW364.49 g/mol
LogP4.33
Rot. Bonds3

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

methyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3232785) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is methyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3232785
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Namemethyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C23H28N2O2/c1-27-22(26)25-15-8-13-23(18-25)14-16-24(17-23)21(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21H,8,13-18H2,1H3/t23-/m0/s1
InChIKeyKKPYYEIHMSFECK-QHCPKHFHSA-N
XLogP4.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3232785) is methyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate is COC(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1.
What is the InChIKey of methyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is KKPYYEIHMSFECK-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-22(26)25-15-8-13-23(18-25)14-16-24(17-23)21(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21H,8,13-18H2,1H3/t23-/m0/s1.
What are the key properties of methyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate?
methyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 364.49 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-2-benzhydryl-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3232785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).