3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one

C22H24N4O3 — CID 172660303

IUPAC3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCn1cc(C(=O)N2CCC3(CC2)CC(Cn2ccnc2)OC3=O)c2ccccc21
InChIInChI=1S/C22H24N4O3/c1-24-14-18(17-4-2-3-5-19(17)24)20(27)26-9-6-22(7-10-26)12-16(29-21(22)28)13-25-11-8-23-15-25/h2-5,8,11,14-16H,6-7,9-10,12-13H2,1H3
InChIKeyUSFMYBJODVPZHL-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.61
Rot. Bonds3

About 3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one

3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 172660303) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID172660303
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCn1cc(C(=O)N2CCC3(CC2)CC(Cn2ccnc2)OC3=O)c2ccccc21
InChIInChI=1S/C22H24N4O3/c1-24-14-18(17-4-2-3-5-19(17)24)20(27)26-9-6-22(7-10-26)12-16(29-21(22)28)13-25-11-8-23-15-25/h2-5,8,11,14-16H,6-7,9-10,12-13H2,1H3
InChIKeyUSFMYBJODVPZHL-UHFFFAOYSA-N
XLogP2.61
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 171911256
3-(imidazol-1-ylmethyl)-8-[3-(trifluoromethyl)pyridine-2-carbonyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172667255
N-[2-[3-(imidazol-1-ylmethyl)-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide
CID 172656843
3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172669375
8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172672609
8-(3-chloro-5-methoxybenzoyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172662562
8-[2-(2,3-dimethylphenoxy)acetyl]-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172667084
3-(imidazol-1-ylmethyl)-8-[4-(4-methoxyphenyl)butanoyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172671913
formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(isoquinoline-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172912174
3-(benzimidazol-1-ylmethyl)-8-(4-methylbenzoyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 171911990
3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 171915437
3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one
CID 91781708

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one (CID 172660303) is 3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one is Cn1cc(C(=O)N2CCC3(CC2)CC(Cn2ccnc2)OC3=O)c2ccccc21.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is USFMYBJODVPZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-24-14-18(17-4-2-3-5-19(17)24)20(27)26-9-6-22(7-10-26)12-16(29-21(22)28)13-25-11-8-23-15-25/h2-5,8,11,14-16H,6-7,9-10,12-13H2,1H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 392.46 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 172660303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).