(2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone

C21H20BrN3O2 — CID 53013272

IUPAC(2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3ccccc3Br)CC2)[nH]c2ccccc12
InChIInChI=1S/C21H20BrN3O2/c1-14-15-6-3-5-9-18(15)23-19(14)21(27)25-12-10-24(11-13-25)20(26)16-7-2-4-8-17(16)22/h2-9,23H,10-13H2,1H3
InChIKeyGUNAATVPUCGHBS-UHFFFAOYSA-N
MW426.31 g/mol
LogP3.84
Rot. Bonds2

About (2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone

(2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 53013272) has the molecular formula C21H20BrN3O2 and a molecular weight of 426.31 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
PubChem CID53013272
Molecular FormulaC21H20BrN3O2
Molecular Weight426.31 g/mol
Exact Mass425.07
IUPAC Name(2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3ccccc3Br)CC2)[nH]c2ccccc12
InChIInChI=1S/C21H20BrN3O2/c1-14-15-6-3-5-9-18(15)23-19(14)21(27)25-12-10-24(11-13-25)20(26)16-7-2-4-8-17(16)22/h2-9,23H,10-13H2,1H3
InChIKeyGUNAATVPUCGHBS-UHFFFAOYSA-N
XLogP3.84
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone 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

[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 53013280
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
(4-chlorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013270
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
(3,4-difluorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013289
1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 53013284
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone
CID 51122078
1-[4-(2-bromobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817935
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone (CID 53013272) is (2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(C(=O)c3ccccc3Br)CC2)[nH]c2ccccc12.
What is the InChIKey of (2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is GUNAATVPUCGHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O2/c1-14-15-6-3-5-9-18(15)23-19(14)21(27)25-12-10-24(11-13-25)20(26)16-7-2-4-8-17(16)22/h2-9,23H,10-13H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 426.31 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53013272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).