methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate

C19H28N2O3 — CID 3233493

IUPACmethyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)N1CCC2(CCN(Cc3ccccc3OC)CC2)CC1
InChIInChI=1S/C19H28N2O3/c1-23-17-6-4-3-5-16(17)15-20-11-7-19(8-12-20)9-13-21(14-10-19)18(22)24-2/h3-6H,7-15H2,1-2H3
InChIKeyJDMJYQWCTZJELL-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.14
Rot. Bonds3

About methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate

methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 3233493) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID3233493
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namemethyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)N1CCC2(CCN(Cc3ccccc3OC)CC2)CC1
InChIInChI=1S/C19H28N2O3/c1-23-17-6-4-3-5-16(17)15-20-11-7-19(8-12-20)9-13-21(14-10-19)18(22)24-2/h3-6H,7-15H2,1-2H3
InChIKeyJDMJYQWCTZJELL-UHFFFAOYSA-N
XLogP3.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 3233493) is methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate is COC(=O)N1CCC2(CCN(Cc3ccccc3OC)CC2)CC1.
What is the InChIKey of methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is JDMJYQWCTZJELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-17-6-4-3-5-16(17)15-20-11-7-19(8-12-20)9-13-21(14-10-19)18(22)24-2/h3-6H,7-15H2,1-2H3.
What are the key properties of methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate?
methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 3233493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).