8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

C26H27N3O3 — CID 66833886

IUPAC8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(OC3CCN(CCO)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C26H27N3O3/c1-26(2)21-14-18(32-17-7-9-29(10-8-17)11-12-30)4-6-19(21)24(31)23-20-5-3-16(15-27)13-22(20)28-25(23)26/h3-6,13-14,17,28,30H,7-12H2,1-2H3
InChIKeyBZTCDKPKAWSRPT-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.75
Rot. Bonds4

About 8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (PubChem CID 66833886) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
PubChem CID66833886
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
SMILESCC1(C)c2cc(OC3CCN(CCO)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C26H27N3O3/c1-26(2)21-14-18(32-17-7-9-29(10-8-17)11-12-30)4-6-19(21)24(31)23-20-5-3-16(15-27)13-22(20)28-25(23)26/h3-6,13-14,17,28,30H,7-12H2,1-2H3
InChIKeyBZTCDKPKAWSRPT-UHFFFAOYSA-N
XLogP3.75
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The IUPAC name of 8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile (CID 66833886) is 8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile.
What is the SMILES notation for 8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The canonical SMILES for 8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is CC1(C)c2cc(OC3CCN(CCO)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of 8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
The InChIKey is BZTCDKPKAWSRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-26(2)21-14-18(32-17-7-9-29(10-8-17)11-12-30)4-6-19(21)24(31)23-20-5-3-16(15-27)13-22(20)28-25(23)26/h3-6,13-14,17,28,30H,7-12H2,1-2H3.
What are the key properties of 8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile?
8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile has a molecular weight of 429.52 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-hydroxyethyl)piperidin-4-yl]oxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is sourced from PubChem (CID 66833886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).