6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile

C24H23N3O — CID 54586752

IUPAC6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(N3CCCCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C24H23N3O/c1-24(2)19-13-16(27-10-4-3-5-11-27)7-9-17(19)22(28)21-18-8-6-15(14-25)12-20(18)26-23(21)24/h6-9,12-13,26H,3-5,10-11H2,1-2H3
InChIKeyVQZFCYOTZLCUGN-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.90
Rot. Bonds1

About 6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile

6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 54586752) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID54586752
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(N3CCCCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C24H23N3O/c1-24(2)19-13-16(27-10-4-3-5-11-27)7-9-17(19)22(28)21-18-8-6-15(14-25)12-20(18)26-23(21)24/h6-9,12-13,26H,3-5,10-11H2,1-2H3
InChIKeyVQZFCYOTZLCUGN-UHFFFAOYSA-N
XLogP4.90
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile (CID 54586752) is 6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile is CC1(C)c2cc(N3CCCCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is VQZFCYOTZLCUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-24(2)19-13-16(27-10-4-3-5-11-27)7-9-17(19)22(28)21-18-8-6-15(14-25)12-20(18)26-23(21)24/h6-9,12-13,26H,3-5,10-11H2,1-2H3.
What are the key properties of 6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile?
6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 369.47 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-11-oxo-8-piperidin-1-yl-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 54586752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).