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

C21H21N3O — CID 56910560

IUPAC1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCCN(Cc1cc3ccccc3[nH]1)C2
InChIInChI=1S/C21H21N3O/c25-20-21(17-7-2-4-9-19(17)23-20)10-5-11-24(14-21)13-16-12-15-6-1-3-8-18(15)22-16/h1-4,6-9,12,22H,5,10-11,13-14H2,(H,23,25)
InChIKeyBQQGUHPTBSTXHP-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.65
Rot. Bonds2

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

1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 56910560) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID56910560
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCCN(Cc1cc3ccccc3[nH]1)C2
InChIInChI=1S/C21H21N3O/c25-20-21(17-7-2-4-9-19(17)23-20)10-5-11-24(14-21)13-16-12-15-6-1-3-8-18(15)22-16/h1-4,6-9,12,22H,5,10-11,13-14H2,(H,23,25)
InChIKeyBQQGUHPTBSTXHP-UHFFFAOYSA-N
XLogP3.65
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of 1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one (CID 56910560) is 1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one is O=C1Nc2ccccc2C12CCCN(Cc1cc3ccccc3[nH]1)C2.
What is the InChIKey of 1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is BQQGUHPTBSTXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-20-21(17-7-2-4-9-19(17)23-20)10-5-11-24(14-21)13-16-12-15-6-1-3-8-18(15)22-16/h1-4,6-9,12,22H,5,10-11,13-14H2,(H,23,25).
What are the key properties of 1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one?
1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 331.42 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 56910560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).