2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C21H27N3O3 — CID 56740207

IUPAC2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccc2c(c1)c(C(=O)N1CCC3(CCCN(C)C3=O)C1)c(C)n2C
InChIInChI=1S/C21H27N3O3/c1-14-18(16-12-15(27-4)6-7-17(16)23(14)3)19(25)24-11-9-21(13-24)8-5-10-22(2)20(21)26/h6-7,12H,5,8-11,13H2,1-4H3
InChIKeyRGFQLVCJEHWGDR-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.58
Rot. Bonds2

About 2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56740207) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56740207
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccc2c(c1)c(C(=O)N1CCC3(CCCN(C)C3=O)C1)c(C)n2C
InChIInChI=1S/C21H27N3O3/c1-14-18(16-12-15(27-4)6-7-17(16)23(14)3)19(25)24-11-9-21(13-24)8-5-10-22(2)20(21)26/h6-7,12H,5,8-11,13H2,1-4H3
InChIKeyRGFQLVCJEHWGDR-UHFFFAOYSA-N
XLogP2.58
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 126446184
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone
CID 138386675
(5R)-2-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97115970
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218005
(5aS,8aS)-7-(5-methoxy-1,2-dimethylindole-3-carbonyl)-5-methyl-2,3,5a,6,8,8a-hexahydropyrrolo[3,4-b][1,4]oxazepin-4-one
CID 154564046
3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one
CID 82118498
[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714981
9-(5-methoxy-1,2-dimethylindole-3-carbonyl)-2-phenyl-1,5,9-triazacyclotridecan-4-one
CID 163304967
7-methyl-2-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56741799
2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45198082
2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205610

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 56740207) is 2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is COc1ccc2c(c1)c(C(=O)N1CCC3(CCCN(C)C3=O)C1)c(C)n2C.
What is the InChIKey of 2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RGFQLVCJEHWGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-18(16-12-15(27-4)6-7-17(16)23(14)3)19(25)24-11-9-21(13-24)8-5-10-22(2)20(21)26/h6-7,12H,5,8-11,13H2,1-4H3.
What are the key properties of 2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 369.47 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56740207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).