(5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C20H25N3O4 — CID 126446184

IUPAC(5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCOc1ccc2c(c1)c(C(=O)N1CC[C@@]3(CN(C)C(=O)CO3)C1)c(C)n2C
InChIInChI=1S/C20H25N3O4/c1-13-18(15-9-14(26-4)5-6-16(15)22(13)3)19(25)23-8-7-20(12-23)11-21(2)17(24)10-27-20/h5-6,9H,7-8,10-12H2,1-4H3/t20-/m1/s1
InChIKeyBSRUDCYDIHGQNX-HXUWFJFHSA-N
MW371.44 g/mol
LogP1.57
Rot. Bonds2

About (5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one

(5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 126446184) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID126446184
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCOc1ccc2c(c1)c(C(=O)N1CC[C@@]3(CN(C)C(=O)CO3)C1)c(C)n2C
InChIInChI=1S/C20H25N3O4/c1-13-18(15-9-14(26-4)5-6-16(15)22(13)3)19(25)23-8-7-20(12-23)11-21(2)17(24)10-27-20/h5-6,9H,7-8,10-12H2,1-4H3/t20-/m1/s1
InChIKeyBSRUDCYDIHGQNX-HXUWFJFHSA-N
XLogP1.57
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one with MolForge

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Launch Full Analysis

Related Compounds

2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56740207
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone
CID 138386675
9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 119062413
(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
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 96679476
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
1-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]piperidin-1-ium-4-one
CID 7370847
(5R)-9-(4-methoxy-2-methylbenzoyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723972
(5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 126425152
(5S)-9-(5-methoxy-3-methyl-1H-indole-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95711524

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of (5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 126446184) is (5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for (5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for (5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one is COc1ccc2c(c1)c(C(=O)N1CC[C@@]3(CN(C)C(=O)CO3)C1)c(C)n2C.
What is the InChIKey of (5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is BSRUDCYDIHGQNX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-18(15-9-14(26-4)5-6-16(15)22(13)3)19(25)23-8-7-20(12-23)11-21(2)17(24)10-27-20/h5-6,9H,7-8,10-12H2,1-4H3/t20-/m1/s1.
What are the key properties of (5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
(5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 371.44 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(5-methoxy-1,2-dimethylindole-3-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 126446184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).