3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane

C23H30N2O — CID 153204590

IUPAC3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
SMILESCOc1ccccc1C1CNCCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C23H30N2O/c1-26-22-10-6-5-9-20(22)21-17-24-14-11-23(21)12-15-25(16-13-23)18-19-7-3-2-4-8-19/h2-10,21,24H,11-18H2,1H3
InChIKeyWKOMDZJDNMWVCM-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.05
Rot. Bonds4

About 3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane

3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 153204590) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
PubChem CID153204590
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
SMILESCOc1ccccc1C1CNCCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C23H30N2O/c1-26-22-10-6-5-9-20(22)21-17-24-14-11-23(21)12-15-25(16-13-23)18-19-7-3-2-4-8-19/h2-10,21,24H,11-18H2,1H3
InChIKeyWKOMDZJDNMWVCM-UHFFFAOYSA-N
XLogP4.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-6-ethyl-2,8-diazaspiro[4.5]decane
CID 79320158
tert-butyl 9-benzyl-5-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 149148735
2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 113247774
2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane
CID 79321591
3,3,3-trifluoro-2-(4-fluorophenyl)-2-methoxy-1-[11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 152945188
2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane
CID 79321420
3,3,3-trifluoro-2-methoxy-2-(4-methoxyphenyl)-1-[11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 147195593
(2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
CID 151800015
(4-benzylmorpholin-2-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120732756
(5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
CID 12968985
2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 79310836
2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane
CID 83851488

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane (CID 153204590) is 3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane is COc1ccccc1C1CNCCC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is WKOMDZJDNMWVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-26-22-10-6-5-9-20(22)21-17-24-14-11-23(21)12-15-25(16-13-23)18-19-7-3-2-4-8-19/h2-10,21,24H,11-18H2,1H3.
What are the key properties of 3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane?
3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 350.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-11-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 153204590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).