(5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane

C18H28N2O2 — CID 124815773

IUPAC(5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCOC[C@@H]1CN(C)C[C@]12CCN(Cc1ccccc1OC)C2
InChIInChI=1S/C18H28N2O2/c1-19-11-16(12-21-2)18(13-19)8-9-20(14-18)10-15-6-4-5-7-17(15)22-3/h4-7,16H,8-14H2,1-3H3/t16-,18-/m0/s1
InChIKeyGMDDLPOGNOPVNQ-WMZOPIPTSA-N
MW304.43 g/mol
LogP2.10
Rot. Bonds5

About (5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane

(5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane (PubChem CID 124815773) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane
PubChem CID124815773
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCOC[C@@H]1CN(C)C[C@]12CCN(Cc1ccccc1OC)C2
InChIInChI=1S/C18H28N2O2/c1-19-11-16(12-21-2)18(13-19)8-9-20(14-18)10-15-6-4-5-7-17(15)22-3/h4-7,16H,8-14H2,1-3H3/t16-,18-/m0/s1
InChIKeyGMDDLPOGNOPVNQ-WMZOPIPTSA-N
XLogP2.10
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 124822149
(5R,9R)-9-(cyclopropylmethoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155832501
(5S,9S)-9-(methoxymethyl)-7-methyl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 124820197
8-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 91922090
4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 91910522
8-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 131638720
(3S)-3-(methoxymethyl)-8-[(2-methoxyphenyl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 97418031
8-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155828711
2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole
CID 124814501
(3-fluoro-4-methoxyphenyl)-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 97485481
1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124802038
[(5S,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-naphthalen-2-ylmethanone
CID 124821690

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane (CID 124815773) is (5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane is COC[C@@H]1CN(C)C[C@]12CCN(Cc1ccccc1OC)C2.
What is the InChIKey of (5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane?
The InChIKey is GMDDLPOGNOPVNQ-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-19-11-16(12-21-2)18(13-19)8-9-20(14-18)10-15-6-4-5-7-17(15)22-3/h4-7,16H,8-14H2,1-3H3/t16-,18-/m0/s1.
What are the key properties of (5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane?
(5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane has a molecular weight of 304.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 124815773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).