N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride

C15H23BrClN3O — CID 2902775

IUPACN-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride
SMILESCCN1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C15H22BrN3O.ClH/c1-2-18-9-11-19(12-10-18)8-7-15(20)17-14-5-3-13(16)4-6-14;/h3-6H,2,7-12H2,1H3,(H,17,20);1H
InChIKeySMMCCFKWUMNCDK-UHFFFAOYSA-N
MW376.73 g/mol
LogP2.84
Rot. Bonds5

About N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride

N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride (PubChem CID 2902775) has the molecular formula C15H23BrClN3O and a molecular weight of 376.73 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride
PubChem CID2902775
Molecular FormulaC15H23BrClN3O
Molecular Weight376.73 g/mol
Exact Mass375.07
IUPAC NameN-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride
SMILESCCN1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C15H22BrN3O.ClH/c1-2-18-9-11-19(12-10-18)8-7-15(20)17-14-5-3-13(16)4-6-14;/h3-6H,2,7-12H2,1H3,(H,17,20);1H
InChIKeySMMCCFKWUMNCDK-UHFFFAOYSA-N
XLogP2.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride (CID 2902775) is N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride is CCN1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1.Cl.
What is the InChIKey of N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride?
The InChIKey is SMMCCFKWUMNCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O.ClH/c1-2-18-9-11-19(12-10-18)8-7-15(20)17-14-5-3-13(16)4-6-14;/h3-6H,2,7-12H2,1H3,(H,17,20);1H.
What are the key properties of N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride?
N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride has a molecular weight of 376.73 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 2902775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).