(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C22H28N2O4 — CID 95886398

IUPAC(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CN2CCC[C@]3(CCN(Cc4ccco4)C3)C2=O)c1OC
InChIInChI=1S/C22H28N2O4/c1-26-19-8-3-6-17(20(19)27-2)14-24-11-5-9-22(21(24)25)10-12-23(16-22)15-18-7-4-13-28-18/h3-4,6-8,13H,5,9-12,14-16H2,1-2H3/t22-/m1/s1
InChIKeyCNRNXHIUYYBKSS-JOCHJYFZSA-N
MW384.48 g/mol
LogP3.31
Rot. Bonds6

About (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 95886398) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID95886398
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CN2CCC[C@]3(CCN(Cc4ccco4)C3)C2=O)c1OC
InChIInChI=1S/C22H28N2O4/c1-26-19-8-3-6-17(20(19)27-2)14-24-11-5-9-22(21(24)25)10-12-23(16-22)15-18-7-4-13-28-18/h3-4,6-8,13H,5,9-12,14-16H2,1-2H3/t22-/m1/s1
InChIKeyCNRNXHIUYYBKSS-JOCHJYFZSA-N
XLogP3.31
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 70769286
(5S)-2-acetyl-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401748
2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea
CID 119062821
7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one
CID 45177820
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126426884
7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70753360
(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one
CID 95231035
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25396509
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
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 95886398) is (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is COc1cccc(CN2CCC[C@]3(CCN(Cc4ccco4)C3)C2=O)c1OC.
What is the InChIKey of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CNRNXHIUYYBKSS-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-19-8-3-6-17(20(19)27-2)14-24-11-5-9-22(21(24)25)10-12-23(16-22)15-18-7-4-13-28-18/h3-4,6-8,13H,5,9-12,14-16H2,1-2H3/t22-/m1/s1.
What are the key properties of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 384.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 95886398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).