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

C16H25BrClN3O — CID 2901268

IUPACN-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride
SMILESCCN1CCN(CCC(=O)Nc2ccc(Br)c(C)c2)CC1.Cl
InChIInChI=1S/C16H24BrN3O.ClH/c1-3-19-8-10-20(11-9-19)7-6-16(21)18-14-4-5-15(17)13(2)12-14;/h4-5,12H,3,6-11H2,1-2H3,(H,18,21);1H
InChIKeyDKYDATCMBORXMQ-UHFFFAOYSA-N
MW390.75 g/mol
LogP3.15
Rot. Bonds5

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

N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride (PubChem CID 2901268) has the molecular formula C16H25BrClN3O and a molecular weight of 390.75 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride
PubChem CID2901268
Molecular FormulaC16H25BrClN3O
Molecular Weight390.75 g/mol
Exact Mass389.09
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride
SMILESCCN1CCN(CCC(=O)Nc2ccc(Br)c(C)c2)CC1.Cl
InChIInChI=1S/C16H24BrN3O.ClH/c1-3-19-8-10-20(11-9-19)7-6-16(21)18-14-4-5-15(17)13(2)12-14;/h4-5,12H,3,6-11H2,1-2H3,(H,18,21);1H
InChIKeyDKYDATCMBORXMQ-UHFFFAOYSA-N
XLogP3.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.75
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride (CID 2901268) is N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride is CCN1CCN(CCC(=O)Nc2ccc(Br)c(C)c2)CC1.Cl.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride?
The InChIKey is DKYDATCMBORXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O.ClH/c1-3-19-8-10-20(11-9-19)7-6-16(21)18-14-4-5-15(17)13(2)12-14;/h4-5,12H,3,6-11H2,1-2H3,(H,18,21);1H.
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride?
N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride has a molecular weight of 390.75 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(4-ethylpiperazin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 2901268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).