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

C17H24N2O2 — CID 3234937

IUPACphenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCN1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2
InChIInChI=1S/C17H24N2O2/c1-18-11-7-17(8-12-18)9-13-19(14-10-17)16(20)21-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyLMZHVQCCLWZZPX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.99
Rot. Bonds1

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

phenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 3234937) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is phenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namephenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID3234937
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namephenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCN1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2
InChIInChI=1S/C17H24N2O2/c1-18-11-7-17(8-12-18)9-13-19(14-10-17)16(20)21-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3
InChIKeyLMZHVQCCLWZZPX-UHFFFAOYSA-N
XLogP2.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of phenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 3234937) is phenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for phenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for phenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate is CN1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2.
What is the InChIKey of phenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is LMZHVQCCLWZZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-11-7-17(8-12-18)9-13-19(14-10-17)16(20)21-15-5-3-2-4-6-15/h2-6H,7-14H2,1H3.
What are the key properties of phenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate?
phenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 9-methyl-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 3234937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).