8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one

C29H32BrN3O3 — CID 66834932

IUPAC8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCC(=O)N1CC(N2CCC(COc3ccc4c(c3)C(C)(C)c3[nH]c5cc(Br)ccc5c3C4=O)CC2)C1
InChIInChI=1S/C29H32BrN3O3/c1-17(34)33-14-20(15-33)32-10-8-18(9-11-32)16-36-21-5-7-22-24(13-21)29(2,3)28-26(27(22)35)23-6-4-19(30)12-25(23)31-28/h4-7,12-13,18,20,31H,8-11,14-16H2,1-3H3
InChIKeyGULZCCDSNOPQMD-UHFFFAOYSA-N
MW550.50 g/mol
LogP5.12
Rot. Bonds4

About 8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one

8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one (PubChem CID 66834932) has the molecular formula C29H32BrN3O3 and a molecular weight of 550.50 g/mol. Its IUPAC name is 8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one
PubChem CID66834932
Molecular FormulaC29H32BrN3O3
Molecular Weight550.50 g/mol
Exact Mass549.16
IUPAC Name8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCC(=O)N1CC(N2CCC(COc3ccc4c(c3)C(C)(C)c3[nH]c5cc(Br)ccc5c3C4=O)CC2)C1
InChIInChI=1S/C29H32BrN3O3/c1-17(34)33-14-20(15-33)32-10-8-18(9-11-32)16-36-21-5-7-22-24(13-21)29(2,3)28-26(27(22)35)23-6-4-19(30)12-25(23)31-28/h4-7,12-13,18,20,31H,8-11,14-16H2,1-3H3
InChIKeyGULZCCDSNOPQMD-UHFFFAOYSA-N
XLogP5.12
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The IUPAC name of 8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one (CID 66834932) is 8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one is CC(=O)N1CC(N2CCC(COc3ccc4c(c3)C(C)(C)c3[nH]c5cc(Br)ccc5c3C4=O)CC2)C1.
What is the InChIKey of 8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The InChIKey is GULZCCDSNOPQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32BrN3O3/c1-17(34)33-14-20(15-33)32-10-8-18(9-11-32)16-36-21-5-7-22-24(13-21)29(2,3)28-26(27(22)35)23-6-4-19(30)12-25(23)31-28/h4-7,12-13,18,20,31H,8-11,14-16H2,1-3H3.
What are the key properties of 8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one has a molecular weight of 550.50 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(1-acetylazetidin-3-yl)piperidin-4-yl]methoxy]-3-bromo-6,6-dimethyl-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 66834932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).