1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one

C18H19N3O — CID 97375616

IUPAC1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(Cc1cccnc1)CC2
InChIInChI=1S/C18H19N3O/c22-17-18(15-5-1-2-6-16(15)20-17)7-10-21(11-8-18)13-14-4-3-9-19-12-14/h1-6,9,12H,7-8,10-11,13H2,(H,20,22)
InChIKeyKOWSRCIRSWPHJQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.57
Rot. Bonds2

About 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one

1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 97375616) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID97375616
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(Cc1cccnc1)CC2
InChIInChI=1S/C18H19N3O/c22-17-18(15-5-1-2-6-16(15)20-17)7-10-21(11-8-18)13-14-4-3-9-19-12-14/h1-6,9,12H,7-8,10-11,13H2,(H,20,22)
InChIKeyKOWSRCIRSWPHJQ-UHFFFAOYSA-N
XLogP2.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 97375616) is 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one is O=C1Nc2ccccc2C12CCN(Cc1cccnc1)CC2.
What is the InChIKey of 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is KOWSRCIRSWPHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-17-18(15-5-1-2-6-16(15)20-17)7-10-21(11-8-18)13-14-4-3-9-19-12-14/h1-6,9,12H,7-8,10-11,13H2,(H,20,22).
What are the key properties of 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 293.37 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 97375616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).