(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane

C17H26N2O2 — CID 95729851

IUPAC(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCOc1cccc(CN2CCC[C@]3(CCNC3)C2)c1OC
InChIInChI=1S/C17H26N2O2/c1-20-15-6-3-5-14(16(15)21-2)11-19-10-4-7-17(13-19)8-9-18-12-17/h3,5-6,18H,4,7-13H2,1-2H3/t17-/m1/s1
InChIKeyNKUYAZRISCZEEP-QGZVFWFLSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds4

About (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane

(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 95729851) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID95729851
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCOc1cccc(CN2CCC[C@]3(CCNC3)C2)c1OC
InChIInChI=1S/C17H26N2O2/c1-20-15-6-3-5-14(16(15)21-2)11-19-10-4-7-17(13-19)8-9-18-12-17/h3,5-6,18H,4,7-13H2,1-2H3/t17-/m1/s1
InChIKeyNKUYAZRISCZEEP-QGZVFWFLSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3233910
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol
CID 102849331
3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-methoxyphenol
CID 120908197
7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 56754640
7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909547
(5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 95227016
1-[9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]but-3-en-1-one
CID 45229052
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907099
7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane
CID 45229161
(5S)-9-[(2,3-dimethoxyphenyl)methyl]-2-[(1-ethylimidazol-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 42511244
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907098
[9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45205230

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane (CID 95729851) is (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane is COc1cccc(CN2CCC[C@]3(CCNC3)C2)c1OC.
What is the InChIKey of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is NKUYAZRISCZEEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-15-6-3-5-14(16(15)21-2)11-19-10-4-7-17(13-19)8-9-18-12-17/h3,5-6,18H,4,7-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane?
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 290.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 95729851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).