4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one

C22H27N3O2 — CID 126791179

IUPAC4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCCCOc1ccc(CNC2CCC3(CC2)C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C22H27N3O2/c1-2-13-27-20-8-7-16(15-24-20)14-23-17-9-11-22(12-10-17)18-5-3-4-6-19(18)25-21(22)26/h3-8,15,17,23H,2,9-14H2,1H3,(H,25,26)
InChIKeyKLUORXFJKOLXEO-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.79
Rot. Bonds6

About 4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one

4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 126791179) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID126791179
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCCCOc1ccc(CNC2CCC3(CC2)C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C22H27N3O2/c1-2-13-27-20-8-7-16(15-24-20)14-23-17-9-11-22(12-10-17)18-5-3-4-6-19(18)25-21(22)26/h3-8,15,17,23H,2,9-14H2,1H3,(H,25,26)
InChIKeyKLUORXFJKOLXEO-UHFFFAOYSA-N
XLogP3.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one (CID 126791179) is 4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one is CCCOc1ccc(CNC2CCC3(CC2)C(=O)Nc2ccccc23)cn1.
What is the InChIKey of 4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is KLUORXFJKOLXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-13-27-20-8-7-16(15-24-20)14-23-17-9-11-22(12-10-17)18-5-3-4-6-19(18)25-21(22)26/h3-8,15,17,23H,2,9-14H2,1H3,(H,25,26).
What are the key properties of 4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one?
4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[(6-propoxy-3-pyridinyl)methylamino]spiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 126791179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).