8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one

C26H27BrN2O3 — CID 66834303

IUPAC8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one
SMILESCC(=O)N1CCC(Oc2ccc3c(c2)C(C)(C)c2c(c4ccc(Br)cc4n2C)C3=O)CC1
InChIInChI=1S/C26H27BrN2O3/c1-15(30)29-11-9-17(10-12-29)32-18-6-8-19-21(14-18)26(2,3)25-23(24(19)31)20-7-5-16(27)13-22(20)28(25)4/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyMMVPWGZLDCHLRQ-UHFFFAOYSA-N
MW495.42 g/mol
LogP5.20
Rot. Bonds2

About 8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one

8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one (PubChem CID 66834303) has the molecular formula C26H27BrN2O3 and a molecular weight of 495.42 g/mol. Its IUPAC name is 8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one
PubChem CID66834303
Molecular FormulaC26H27BrN2O3
Molecular Weight495.42 g/mol
Exact Mass494.12
IUPAC Name8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one
SMILESCC(=O)N1CCC(Oc2ccc3c(c2)C(C)(C)c2c(c4ccc(Br)cc4n2C)C3=O)CC1
InChIInChI=1S/C26H27BrN2O3/c1-15(30)29-11-9-17(10-12-29)32-18-6-8-19-21(14-18)26(2,3)25-23(24(19)31)20-7-5-16(27)13-22(20)28(25)4/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyMMVPWGZLDCHLRQ-UHFFFAOYSA-N
XLogP5.20
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one?
The IUPAC name of 8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one (CID 66834303) is 8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one.
What is the SMILES notation for 8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one?
The canonical SMILES for 8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one is CC(=O)N1CCC(Oc2ccc3c(c2)C(C)(C)c2c(c4ccc(Br)cc4n2C)C3=O)CC1.
What is the InChIKey of 8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one?
The InChIKey is MMVPWGZLDCHLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O3/c1-15(30)29-11-9-17(10-12-29)32-18-6-8-19-21(14-18)26(2,3)25-23(24(19)31)20-7-5-16(27)13-22(20)28(25)4/h5-8,13-14,17H,9-12H2,1-4H3.
What are the key properties of 8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one?
8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one has a molecular weight of 495.42 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-acetylpiperidin-4-yl)oxy-3-bromo-5,6,6-trimethylbenzo[b]carbazol-11-one is sourced from PubChem (CID 66834303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).