4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide

C20H19BrN4O2 — CID 86969190

IUPAC4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3[nH]c4ccccc4c3Br)CC2)cc1
InChIInChI=1S/C20H19BrN4O2/c21-17-15-3-1-2-4-16(15)23-18(17)20(27)25-11-9-24(10-12-25)14-7-5-13(6-8-14)19(22)26/h1-8,23H,9-12H2,(H2,22,26)
InChIKeyCGEHCUMJKWGWAS-UHFFFAOYSA-N
MW427.30 g/mol
LogP2.99
Rot. Bonds3

About 4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide

4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide (PubChem CID 86969190) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is 4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
PubChem CID86969190
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3[nH]c4ccccc4c3Br)CC2)cc1
InChIInChI=1S/C20H19BrN4O2/c21-17-15-3-1-2-4-16(15)23-18(17)20(27)25-11-9-24(10-12-25)14-7-5-13(6-8-14)19(22)26/h1-8,23H,9-12H2,(H2,22,26)
InChIKeyCGEHCUMJKWGWAS-UHFFFAOYSA-N
XLogP2.99
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone
CID 51122078
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
(3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560950
2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55913568
4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969119
4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119239332
4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide
CID 86969115
(4-chlorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013270
(2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013272
3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
CID 46391982
3-bromo-1H-indole-2-carboxylate
CID 2325687
4-[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]benzamide
CID 86969186

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide (CID 86969190) is 4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(C(=O)c3[nH]c4ccccc4c3Br)CC2)cc1.
What is the InChIKey of 4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide?
The InChIKey is CGEHCUMJKWGWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c21-17-15-3-1-2-4-16(15)23-18(17)20(27)25-11-9-24(10-12-25)14-7-5-13(6-8-14)19(22)26/h1-8,23H,9-12H2,(H2,22,26).
What are the key properties of 4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide?
4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide has a molecular weight of 427.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 86969190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).