7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C22H32N2O4 — CID 70753360

IUPAC7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CN2CCCC3(CCN(C4CCOCC4)C3)C2=O)c1OC
InChIInChI=1S/C22H32N2O4/c1-26-19-6-3-5-17(20(19)27-2)15-23-11-4-9-22(21(23)25)10-12-24(16-22)18-7-13-28-14-8-18/h3,5-6,18H,4,7-16H2,1-2H3
InChIKeyQCAQJEVIPLLEJA-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.70
Rot. Bonds5

About 7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 70753360) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID70753360
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CN2CCCC3(CCN(C4CCOCC4)C3)C2=O)c1OC
InChIInChI=1S/C22H32N2O4/c1-26-19-6-3-5-17(20(19)27-2)15-23-11-4-9-22(21(23)25)10-12-24(16-22)18-7-13-28-14-8-18/h3,5-6,18H,4,7-16H2,1-2H3
InChIKeyQCAQJEVIPLLEJA-UHFFFAOYSA-N
XLogP2.70
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-2-acetyl-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401748
7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one
CID 45177820
7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 70769286
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95886398
2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide
CID 126448599
7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45198728
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126433243
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25396509
(5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126449974
(5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42454621
7-[(2,3-dimethoxyphenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45243551
(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one
CID 95198220

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 70753360) is 7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is COc1cccc(CN2CCCC3(CCN(C4CCOCC4)C3)C2=O)c1OC.
What is the InChIKey of 7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QCAQJEVIPLLEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-26-19-6-3-5-17(20(19)27-2)15-23-11-4-9-22(21(23)25)10-12-24(16-22)18-7-13-28-14-8-18/h3,5-6,18H,4,7-16H2,1-2H3.
What are the key properties of 7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 388.51 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 70753360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).