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

C18H19N3O — CID 56916447

IUPAC1'-(pyridin-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCCN(Cc1ccncc1)C2
InChIInChI=1S/C18H19N3O/c22-17-18(15-4-1-2-5-16(15)20-17)8-3-11-21(13-18)12-14-6-9-19-10-7-14/h1-2,4-7,9-10H,3,8,11-13H2,(H,20,22)
InChIKeyWAMBQOJJNFJIIA-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.57
Rot. Bonds2

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

1'-(pyridin-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 56916447) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1'-(pyridin-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(pyridin-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID56916447
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1'-(pyridin-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCCN(Cc1ccncc1)C2
InChIInChI=1S/C18H19N3O/c22-17-18(15-4-1-2-5-16(15)20-17)8-3-11-21(13-18)12-14-6-9-19-10-7-14/h1-2,4-7,9-10H,3,8,11-13H2,(H,20,22)
InChIKeyWAMBQOJJNFJIIA-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-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of 1'-(pyridin-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one (CID 56916447) is 1'-(pyridin-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1'-(pyridin-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1'-(pyridin-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one is O=C1Nc2ccccc2C12CCCN(Cc1ccncc1)C2.
What is the InChIKey of 1'-(pyridin-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is WAMBQOJJNFJIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-17-18(15-4-1-2-5-16(15)20-17)8-3-11-21(13-18)12-14-6-9-19-10-7-14/h1-2,4-7,9-10H,3,8,11-13H2,(H,20,22).
What are the key properties of 1'-(pyridin-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one?
1'-(pyridin-4-ylmethyl)spiro[1H-indole-3,3'-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-4-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 56916447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).