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

C22H34N2O3 — CID 45177820

IUPAC7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCC(CC)N1CCC2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1
InChIInChI=1S/C22H34N2O3/c1-5-18(6-2)24-14-12-22(16-24)11-8-13-23(21(22)25)15-17-9-7-10-19(26-3)20(17)27-4/h7,9-10,18H,5-6,8,11-16H2,1-4H3
InChIKeyFCWNJSBCQSPSKT-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.71
Rot. Bonds7

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

7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45177820) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45177820
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCC(CC)N1CCC2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1
InChIInChI=1S/C22H34N2O3/c1-5-18(6-2)24-14-12-22(16-24)11-8-13-23(21(22)25)15-17-9-7-10-19(26-3)20(17)27-4/h7,9-10,18H,5-6,8,11-16H2,1-4H3
InChIKeyFCWNJSBCQSPSKT-UHFFFAOYSA-N
XLogP3.71
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-acetyl-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401748
2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide
CID 126448599
(5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42454621
(5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2,2-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126449974
7-[(2,3-dimethoxyphenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45243551
7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45198728
7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70753360
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
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126433243
2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea
CID 119062821
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25396509

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one (CID 45177820) is 7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one is CCC(CC)N1CCC2(CCCN(Cc3cccc(OC)c3OC)C2=O)C1.
What is the InChIKey of 7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FCWNJSBCQSPSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-5-18(6-2)24-14-12-22(16-24)11-8-13-23(21(22)25)15-17-9-7-10-19(26-3)20(17)27-4/h7,9-10,18H,5-6,8,11-16H2,1-4H3.
What are the key properties of 7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one?
7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45177820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).