2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide

C16H19BrIN3O2 — CID 31426765

IUPAC2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)c2cc(Br)ccc2I)CC1)NC1CC1
InChIInChI=1S/C16H19BrIN3O2/c17-11-1-4-14(18)13(9-11)16(23)21-7-5-20(6-8-21)10-15(22)19-12-2-3-12/h1,4,9,12H,2-3,5-8,10H2,(H,19,22)
InChIKeyBHUWYLLSGWBIOA-UHFFFAOYSA-N
MW492.16 g/mol
LogP2.09
Rot. Bonds4

About 2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide

2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 31426765) has the molecular formula C16H19BrIN3O2 and a molecular weight of 492.16 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID31426765
Molecular FormulaC16H19BrIN3O2
Molecular Weight492.16 g/mol
Exact Mass490.97
IUPAC Name2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)c2cc(Br)ccc2I)CC1)NC1CC1
InChIInChI=1S/C16H19BrIN3O2/c17-11-1-4-14(18)13(9-11)16(23)21-7-5-20(6-8-21)10-15(22)19-12-2-3-12/h1,4,9,12H,2-3,5-8,10H2,(H,19,22)
InChIKeyBHUWYLLSGWBIOA-UHFFFAOYSA-N
XLogP2.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-2-iodophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43391591
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 51206875
N-cyclopropyl-2-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 51206869
N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide
CID 31427575
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 47113782
2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 24642596
N-cyclopropyl-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 86907285
2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 78810203
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549
(5-bromo-2-iodophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide (CID 31426765) is 2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(C(=O)c2cc(Br)ccc2I)CC1)NC1CC1.
What is the InChIKey of 2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is BHUWYLLSGWBIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrIN3O2/c17-11-1-4-14(18)13(9-11)16(23)21-7-5-20(6-8-21)10-15(22)19-12-2-3-12/h1,4,9,12H,2-3,5-8,10H2,(H,19,22).
What are the key properties of 2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 492.16 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 31426765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).