7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one

C16H17N3O2 — CID 166281669

IUPAC7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one
SMILESCn1ccc2cc(C(=O)N3CC(=O)NC4(CC4)C3)ccc21
InChIInChI=1S/C16H17N3O2/c1-18-7-4-11-8-12(2-3-13(11)18)15(21)19-9-14(20)17-16(10-19)5-6-16/h2-4,7-8H,5-6,9-10H2,1H3,(H,17,20)
InChIKeyKXEXIUFGFRNUBB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.28
Rot. Bonds1

About 7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one

7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one (PubChem CID 166281669) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one.

Molecular Properties

Compound Name7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one
PubChem CID166281669
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one
SMILESCn1ccc2cc(C(=O)N3CC(=O)NC4(CC4)C3)ccc21
InChIInChI=1S/C16H17N3O2/c1-18-7-4-11-8-12(2-3-13(11)18)15(21)19-9-14(20)17-16(10-19)5-6-16/h2-4,7-8H,5-6,9-10H2,1H3,(H,17,20)
InChIKeyKXEXIUFGFRNUBB-UHFFFAOYSA-N
XLogP1.28
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one?
The IUPAC name of 7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one (CID 166281669) is 7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one.
What is the SMILES notation for 7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one?
The canonical SMILES for 7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one is Cn1ccc2cc(C(=O)N3CC(=O)NC4(CC4)C3)ccc21.
What is the InChIKey of 7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one?
The InChIKey is KXEXIUFGFRNUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-18-7-4-11-8-12(2-3-13(11)18)15(21)19-9-14(20)17-16(10-19)5-6-16/h2-4,7-8H,5-6,9-10H2,1H3,(H,17,20).
What are the key properties of 7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one?
7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one has a molecular weight of 283.33 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylindole-5-carbonyl)-4,7-diazaspiro[2.5]octan-5-one is sourced from PubChem (CID 166281669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).