8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one

C26H31N3O2 — CID 70196803

IUPAC8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C1(CCNCC1)c1[nH]c3ccccc3c1C2=O
InChIInChI=1S/C26H31N3O2/c1-3-29(4-2)15-16-31-18-9-10-19-21(17-18)26(11-13-27-14-12-26)25-23(24(19)30)20-7-5-6-8-22(20)28-25/h5-10,17,27-28H,3-4,11-16H2,1-2H3
InChIKeyGGYVQDJNEABTCR-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.10
Rot. Bonds6

About 8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one

8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one (PubChem CID 70196803) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one.

Molecular Properties

Compound Name8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one
PubChem CID70196803
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one
SMILESCCN(CC)CCOc1ccc2c(c1)C1(CCNCC1)c1[nH]c3ccccc3c1C2=O
InChIInChI=1S/C26H31N3O2/c1-3-29(4-2)15-16-31-18-9-10-19-21(17-18)26(11-13-27-14-12-26)25-23(24(19)30)20-7-5-6-8-22(20)28-25/h5-10,17,27-28H,3-4,11-16H2,1-2H3
InChIKeyGGYVQDJNEABTCR-UHFFFAOYSA-N
XLogP4.10
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one?
The IUPAC name of 8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one (CID 70196803) is 8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one.
What is the SMILES notation for 8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one?
The canonical SMILES for 8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one is CCN(CC)CCOc1ccc2c(c1)C1(CCNCC1)c1[nH]c3ccccc3c1C2=O.
What is the InChIKey of 8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one?
The InChIKey is GGYVQDJNEABTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-3-29(4-2)15-16-31-18-9-10-19-21(17-18)26(11-13-27-14-12-26)25-23(24(19)30)20-7-5-6-8-22(20)28-25/h5-10,17,27-28H,3-4,11-16H2,1-2H3.
What are the key properties of 8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one?
8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one has a molecular weight of 417.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(diethylamino)ethoxy]spiro[5H-benzo[b]carbazole-6,4'-piperidine]-11-one is sourced from PubChem (CID 70196803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).