8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one

C23H28FN3O4 — CID 172667443

IUPAC8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCc1c(C(=O)N2CCC3(CC2)CC(CN2CCOCC2)OC3=O)[nH]c2c(F)cccc12
InChIInChI=1S/C23H28FN3O4/c1-15-17-3-2-4-18(24)20(17)25-19(15)21(28)27-7-5-23(6-8-27)13-16(31-22(23)29)14-26-9-11-30-12-10-26/h2-4,16,25H,5-14H2,1H3
InChIKeyYJSKMOKFMOZXJS-UHFFFAOYSA-N
MW429.49 g/mol
LogP2.49
Rot. Bonds3

About 8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one

8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 172667443) has the molecular formula C23H28FN3O4 and a molecular weight of 429.49 g/mol. Its IUPAC name is 8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID172667443
Molecular FormulaC23H28FN3O4
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC Name8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCc1c(C(=O)N2CCC3(CC2)CC(CN2CCOCC2)OC3=O)[nH]c2c(F)cccc12
InChIInChI=1S/C23H28FN3O4/c1-15-17-3-2-4-18(24)20(17)25-19(15)21(28)27-7-5-23(6-8-27)13-16(31-22(23)29)14-26-9-11-30-12-10-26/h2-4,16,25H,5-14H2,1H3
InChIKeyYJSKMOKFMOZXJS-UHFFFAOYSA-N
XLogP2.49
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-(5-chloro-2-methylbenzoyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172669863
8-(2,3-difluorobenzoyl)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172667141
8-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172667416
8-(5-methoxy-2-methylpyridine-4-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172665856
formic acid;8-(3-hydroxybenzoyl)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172912463
methyl 2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]benzoate
CID 172665315
(7-fluoro-3-methyl-1H-indol-2-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164696251
formic acid;8-(2-methylpyridine-3-carbonyl)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172909852
formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methylthiophene-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172913400
8-(5-chlorofuran-2-carbonyl)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172668170
3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 175644627
8-(5-chloro-2-methoxybenzoyl)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172659816

Frequently Asked Questions

What is the IUPAC name of 8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one (CID 172667443) is 8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one is Cc1c(C(=O)N2CCC3(CC2)CC(CN2CCOCC2)OC3=O)[nH]c2c(F)cccc12.
What is the InChIKey of 8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is YJSKMOKFMOZXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O4/c1-15-17-3-2-4-18(24)20(17)25-19(15)21(28)27-7-5-23(6-8-27)13-16(31-22(23)29)14-26-9-11-30-12-10-26/h2-4,16,25H,5-14H2,1H3.
What are the key properties of 8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 429.49 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 172667443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).