2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide

C18H24BrN3O4 — CID 24642596

IUPAC2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc(OC)c1Br
InChIInChI=1S/C18H24BrN3O4/c1-25-14-9-12(10-15(26-2)17(14)19)18(24)22-7-5-21(6-8-22)11-16(23)20-13-3-4-13/h9-10,13H,3-8,11H2,1-2H3,(H,20,23)
InChIKeyNLUUKPVIZPPOCH-UHFFFAOYSA-N
MW426.31 g/mol
LogP1.50
Rot. Bonds6

About 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide

2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 24642596) has the molecular formula C18H24BrN3O4 and a molecular weight of 426.31 g/mol. Its IUPAC name is 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID24642596
Molecular FormulaC18H24BrN3O4
Molecular Weight426.31 g/mol
Exact Mass425.10
IUPAC Name2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc(OC)c1Br
InChIInChI=1S/C18H24BrN3O4/c1-25-14-9-12(10-15(26-2)17(14)19)18(24)22-7-5-21(6-8-22)11-16(23)20-13-3-4-13/h9-10,13H,3-8,11H2,1-2H3,(H,20,23)
InChIKeyNLUUKPVIZPPOCH-UHFFFAOYSA-N
XLogP1.50
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 87017869
2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31151577
N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227706
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 51206875
(4-bromo-3,5-dimethoxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119621609
(4-bromo-3,5-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542621
N-cyclopropyl-2-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 35373224
tert-butyl 4-(4-bromo-3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 31517536
N-cyclopropyl-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 43045355
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 38212968
N-cyclopropyl-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 86907285
N-cyclopropyl-2-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]acetamide
CID 146085050

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide (CID 24642596) is 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide is COc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc(OC)c1Br.
What is the InChIKey of 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is NLUUKPVIZPPOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O4/c1-25-14-9-12(10-15(26-2)17(14)19)18(24)22-7-5-21(6-8-22)11-16(23)20-13-3-4-13/h9-10,13H,3-8,11H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 426.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 24642596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).