N-(4-bromophenyl)-3-piperazin-1-ylbutanamide

C14H20BrN3O — CID 84606772

IUPACN-(4-bromophenyl)-3-piperazin-1-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C14H20BrN3O/c1-11(18-8-6-16-7-9-18)10-14(19)17-13-4-2-12(15)3-5-13/h2-5,11,16H,6-10H2,1H3,(H,17,19)
InChIKeyQHTVGSMFKCZXDS-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.07
Rot. Bonds4

About N-(4-bromophenyl)-3-piperazin-1-ylbutanamide

N-(4-bromophenyl)-3-piperazin-1-ylbutanamide (PubChem CID 84606772) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-piperazin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-piperazin-1-ylbutanamide
PubChem CID84606772
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(4-bromophenyl)-3-piperazin-1-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(Br)cc1)N1CCNCC1
InChIInChI=1S/C14H20BrN3O/c1-11(18-8-6-16-7-9-18)10-14(19)17-13-4-2-12(15)3-5-13/h2-5,11,16H,6-10H2,1H3,(H,17,19)
InChIKeyQHTVGSMFKCZXDS-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
3-piperazin-1-yl-N-pyridin-2-ylbutanamide
CID 115189124
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243
4-(4-bromoanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 18581210
N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 115189153
1-[1-(4-bromophenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021726
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
1-(4-bromophenyl)-3-(2-piperazin-1-ylethyl)urea
CID 108869242

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-piperazin-1-ylbutanamide?
The IUPAC name of N-(4-bromophenyl)-3-piperazin-1-ylbutanamide (CID 84606772) is N-(4-bromophenyl)-3-piperazin-1-ylbutanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-piperazin-1-ylbutanamide?
The canonical SMILES for N-(4-bromophenyl)-3-piperazin-1-ylbutanamide is CC(CC(=O)Nc1ccc(Br)cc1)N1CCNCC1.
What is the InChIKey of N-(4-bromophenyl)-3-piperazin-1-ylbutanamide?
The InChIKey is QHTVGSMFKCZXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-11(18-8-6-16-7-9-18)10-14(19)17-13-4-2-12(15)3-5-13/h2-5,11,16H,6-10H2,1H3,(H,17,19).
What are the key properties of N-(4-bromophenyl)-3-piperazin-1-ylbutanamide?
N-(4-bromophenyl)-3-piperazin-1-ylbutanamide has a molecular weight of 326.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-piperazin-1-ylbutanamide is sourced from PubChem (CID 84606772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).