8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C22H22N4O2 — CID 11682270

IUPAC8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C22H22N4O2/c27-20(17-6-7-19-16(14-17)8-11-23-19)25-12-9-22(10-13-25)21(28)24-15-26(22)18-4-2-1-3-5-18/h1-8,11,14,23H,9-10,12-13,15H2,(H,24,28)
InChIKeyDQMTXSQDKOEKNJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.74
Rot. Bonds2

About 8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 11682270) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID11682270
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C22H22N4O2/c27-20(17-6-7-19-16(14-17)8-11-23-19)25-12-9-22(10-13-25)21(28)24-15-26(22)18-4-2-1-3-5-18/h1-8,11,14,23H,9-10,12-13,15H2,(H,24,28)
InChIKeyDQMTXSQDKOEKNJ-UHFFFAOYSA-N
XLogP2.74
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 11682270) is 8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C(c1ccc2[nH]ccc2c1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is DQMTXSQDKOEKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-20(17-6-7-19-16(14-17)8-11-23-19)25-12-9-22(10-13-25)21(28)24-15-26(22)18-4-2-1-3-5-18/h1-8,11,14,23H,9-10,12-13,15H2,(H,24,28).
What are the key properties of 8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 374.44 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 11682270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).