4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide

C20H19BrN4O2 — CID 86969119

IUPAC4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H19BrN4O2/c21-15-3-6-17-14(11-15)12-18(23-17)20(27)25-9-7-24(8-10-25)16-4-1-13(2-5-16)19(22)26/h1-6,11-12,23H,7-10H2,(H2,22,26)
InChIKeyRPALUFRQOQYPCM-UHFFFAOYSA-N
MW427.30 g/mol
LogP2.99
Rot. Bonds3

About 4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide

4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide (PubChem CID 86969119) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is 4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
PubChem CID86969119
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H19BrN4O2/c21-15-3-6-17-14(11-15)12-18(23-17)20(27)25-9-7-24(8-10-25)16-4-1-13(2-5-16)19(22)26/h1-6,11-12,23H,7-10H2,(H2,22,26)
InChIKeyRPALUFRQOQYPCM-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

4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide
CID 86969214
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide
CID 71116278
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38909280
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175453
4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969190
(3S)-1-(5-bromo-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 119113659
4-[4-(3-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]benzamide
CID 166296320
1-[2-[4-(3-fluoro-4-methoxyphenyl)piperazine-1-carbonyl]-1H-indol-5-yl]ethanone
CID 71116283
1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021805
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide (CID 86969119) is 4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(C(=O)c3cc4cc(Br)ccc4[nH]3)CC2)cc1.
What is the InChIKey of 4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide?
The InChIKey is RPALUFRQOQYPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c21-15-3-6-17-14(11-15)12-18(23-17)20(27)25-9-7-24(8-10-25)16-4-1-13(2-5-16)19(22)26/h1-6,11-12,23H,7-10H2,(H2,22,26).
What are the key properties of 4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide?
4-[4-(5-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-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 86969119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).