2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide

C14H20BrN3O3 — CID 18156804

IUPAC2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H20BrN3O3/c1-10(2)16-13(19)9-17-5-7-18(8-6-17)14(20)11-3-4-12(15)21-11/h3-4,10H,5-9H2,1-2H3,(H,16,19)
InChIKeyLPKPOTSQTKRZJJ-UHFFFAOYSA-N
MW358.24 g/mol
LogP1.32
Rot. Bonds4

About 2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 18156804) has the molecular formula C14H20BrN3O3 and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID18156804
Molecular FormulaC14H20BrN3O3
Molecular Weight358.24 g/mol
Exact Mass357.07
IUPAC Name2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H20BrN3O3/c1-10(2)16-13(19)9-17-5-7-18(8-6-17)14(20)11-3-4-12(15)21-11/h3-4,10H,5-9H2,1-2H3,(H,16,19)
InChIKeyLPKPOTSQTKRZJJ-UHFFFAOYSA-N
XLogP1.32
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide
CID 74229259
2-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156852
2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 55200605
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
(5-bromofuran-2-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308791
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156874
2-[4-[4-(methylsulfamoyl)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18268795
2-[4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 55574349
2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156848
2-[4-(3-methyl-5-propyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 23724069
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 18156804) is 2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is LPKPOTSQTKRZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3/c1-10(2)16-13(19)9-17-5-7-18(8-6-17)14(20)11-3-4-12(15)21-11/h3-4,10H,5-9H2,1-2H3,(H,16,19).
What are the key properties of 2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 358.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 18156804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).