11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile

C26H25N3O3 — CID 66834337

IUPAC11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile
SMILESN#Cc1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(OC2CCNCC2)ccc1C3=O
InChIInChI=1S/C26H25N3O3/c27-15-16-1-3-20-22(13-16)29-25-23(20)24(30)19-4-2-18(32-17-5-9-28-10-6-17)14-21(19)26(25)7-11-31-12-8-26/h1-4,13-14,17,28-29H,5-12H2
InChIKeyLLKYHZAMNJXJDT-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.81
Rot. Bonds2

About 11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile

11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile (PubChem CID 66834337) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile.

Molecular Properties

Compound Name11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile
PubChem CID66834337
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile
SMILESN#Cc1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(OC2CCNCC2)ccc1C3=O
InChIInChI=1S/C26H25N3O3/c27-15-16-1-3-20-22(13-16)29-25-23(20)24(30)19-4-2-18(32-17-5-9-28-10-6-17)14-21(19)26(25)7-11-31-12-8-26/h1-4,13-14,17,28-29H,5-12H2
InChIKeyLLKYHZAMNJXJDT-UHFFFAOYSA-N
XLogP3.81
TPSA87.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile?
The IUPAC name of 11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile (CID 66834337) is 11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile.
What is the SMILES notation for 11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile?
The canonical SMILES for 11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile is N#Cc1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(OC2CCNCC2)ccc1C3=O.
What is the InChIKey of 11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile?
The InChIKey is LLKYHZAMNJXJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c27-15-16-1-3-20-22(13-16)29-25-23(20)24(30)19-4-2-18(32-17-5-9-28-10-6-17)14-21(19)26(25)7-11-31-12-8-26/h1-4,13-14,17,28-29H,5-12H2.
What are the key properties of 11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile?
11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile has a molecular weight of 427.50 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-8-piperidin-4-yloxyspiro[5H-benzo[b]carbazole-6,4'-oxane]-3-carbonitrile is sourced from PubChem (CID 66834337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).