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

C16H16BrN7O2 — CID 78905252

IUPAC1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1
InChIInChI=1S/C16H16BrN7O2/c17-12-1-2-13-11(7-12)8-14(19-13)16(26)23-5-3-22(4-6-23)15(25)9-24-10-18-20-21-24/h1-2,7-8,10,19H,3-6,9H2
InChIKeyVMPZIZVIDWTVFA-UHFFFAOYSA-N
MW418.26 g/mol
LogP0.90
Rot. Bonds3

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

1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 78905252) has the molecular formula C16H16BrN7O2 and a molecular weight of 418.26 g/mol. Its IUPAC name is 1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID78905252
Molecular FormulaC16H16BrN7O2
Molecular Weight418.26 g/mol
Exact Mass417.05
IUPAC Name1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1
InChIInChI=1S/C16H16BrN7O2/c17-12-1-2-13-11(7-12)8-14(19-13)16(26)23-5-3-22(4-6-23)15(25)9-24-10-18-20-21-24/h1-2,7-8,10,19H,3-6,9H2
InChIKeyVMPZIZVIDWTVFA-UHFFFAOYSA-N
XLogP0.90
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905242
1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905566
[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38909280
1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905359
4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969119
6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175453
1-[4-[1-(3-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905244
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78904992
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 131960673
(5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone
CID 70879102
3-(2-bromophenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78905433

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 78905252) is 1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is VMPZIZVIDWTVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN7O2/c17-12-1-2-13-11(7-12)8-14(19-13)16(26)23-5-3-22(4-6-23)15(25)9-24-10-18-20-21-24/h1-2,7-8,10,19H,3-6,9H2.
What are the key properties of 1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 418.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 78905252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).