N-(4-bromophenyl)-2-piperazin-1-ylpropanamide

C13H18BrN3O — CID 43089557

IUPACN-(4-bromophenyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C13H18BrN3O/c1-10(17-8-6-15-7-9-17)13(18)16-12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3,(H,16,18)
InChIKeyRMZYGADVAVDSOI-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.68
Rot. Bonds3

About N-(4-bromophenyl)-2-piperazin-1-ylpropanamide

N-(4-bromophenyl)-2-piperazin-1-ylpropanamide (PubChem CID 43089557) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-piperazin-1-ylpropanamide
PubChem CID43089557
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC NameN-(4-bromophenyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C13H18BrN3O/c1-10(17-8-6-15-7-9-17)13(18)16-12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3,(H,16,18)
InChIKeyRMZYGADVAVDSOI-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
N-(4-aminophenyl)-2-piperazin-1-ylpropanamide
CID 82224554
N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide
CID 43130677
N-[4-(2-hydroxyethyl)phenyl]-2-piperazin-1-ylpropanamide
CID 61237892
N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide
CID 43806210
N-(4-bromophenyl)-3-piperazin-1-ylbutanamide
CID 84606772
1-[1-(4-bromoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 42996473
N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4264771
(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096677
(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 172616564
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016
N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 4824621

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(4-bromophenyl)-2-piperazin-1-ylpropanamide (CID 43089557) is N-(4-bromophenyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-2-piperazin-1-ylpropanamide is CC(C(=O)Nc1ccc(Br)cc1)N1CCNCC1.
What is the InChIKey of N-(4-bromophenyl)-2-piperazin-1-ylpropanamide?
The InChIKey is RMZYGADVAVDSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-10(17-8-6-15-7-9-17)13(18)16-12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3,(H,16,18).
What are the key properties of N-(4-bromophenyl)-2-piperazin-1-ylpropanamide?
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide has a molecular weight of 312.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 43089557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).