1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C18H22BrN3O2 — CID 134021805

IUPAC1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1
InChIInChI=1S/C18H22BrN3O2/c1-18(2,3)17(24)22-8-6-21(7-9-22)16(23)15-10-12-4-5-13(19)11-14(12)20-15/h4-5,10-11,20H,6-9H2,1-3H3
InChIKeyGPIXWAUMZBCWNO-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.26
Rot. Bonds1

About 1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 134021805) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID134021805
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1
InChIInChI=1S/C18H22BrN3O2/c1-18(2,3)17(24)22-8-6-21(7-9-22)16(23)15-10-12-4-5-13(19)11-14(12)20-15/h4-5,10-11,20H,6-9H2,1-3H3
InChIKeyGPIXWAUMZBCWNO-UHFFFAOYSA-N
XLogP3.26
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 134062050
tert-butyl 4-(6-hydroxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 164936659
(6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843506
1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38494769
2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 37264260
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969119
1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
CID 166245873
[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38909280
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-(6-propan-2-yl-1H-indol-2-yl)methanone
CID 95337500

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 134021805) is 1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1.
What is the InChIKey of 1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is GPIXWAUMZBCWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c1-18(2,3)17(24)22-8-6-21(7-9-22)16(23)15-10-12-4-5-13(19)11-14(12)20-15/h4-5,10-11,20H,6-9H2,1-3H3.
What are the key properties of 1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 392.30 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134021805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).