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

C19H28N2O3 — CID 3233086

IUPACmethyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CCCN(Cc3ccccc3OC)C2)CC1
InChIInChI=1S/C19H28N2O3/c1-23-17-7-4-3-6-16(17)14-20-11-5-8-19(15-20)9-12-21(13-10-19)18(22)24-2/h3-4,6-7H,5,8-15H2,1-2H3
InChIKeyPAJSQIJTMBSDHL-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.14
Rot. Bonds3

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

methyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3233086) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is methyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3233086
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namemethyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CCCN(Cc3ccccc3OC)C2)CC1
InChIInChI=1S/C19H28N2O3/c1-23-17-7-4-3-6-16(17)14-20-11-5-8-19(15-20)9-12-21(13-10-19)18(22)24-2/h3-4,6-7H,5,8-15H2,1-2H3
InChIKeyPAJSQIJTMBSDHL-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 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of methyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3233086) is methyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for methyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for methyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate is COC(=O)N1CCC2(CCCN(Cc3ccccc3OC)C2)CC1.
What is the InChIKey of methyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is PAJSQIJTMBSDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-17-7-4-3-6-16(17)14-20-11-5-8-19(15-20)9-12-21(13-10-19)18(22)24-2/h3-4,6-7H,5,8-15H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate?
methyl 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-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 2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3233086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).