N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride

C14H20Cl3N3O — CID 119916621

IUPACN-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride
SMILESCC1CNCCN1CCC(=O)Nc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C14H19Cl2N3O.ClH/c1-10-9-17-5-7-19(10)6-4-14(20)18-13-8-11(15)2-3-12(13)16;/h2-3,8,10,17H,4-7,9H2,1H3,(H,18,20);1H
InChIKeyXXQUFYYLFMZFTF-UHFFFAOYSA-N
MW352.69 g/mol
LogP3.04
Rot. Bonds4

About N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride

N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride (PubChem CID 119916621) has the molecular formula C14H20Cl3N3O and a molecular weight of 352.69 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride
PubChem CID119916621
Molecular FormulaC14H20Cl3N3O
Molecular Weight352.69 g/mol
Exact Mass351.07
IUPAC NameN-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride
SMILESCC1CNCCN1CCC(=O)Nc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C14H19Cl2N3O.ClH/c1-10-9-17-5-7-19(10)6-4-14(20)18-13-8-11(15)2-3-12(13)16;/h2-3,8,10,17H,4-7,9H2,1H3,(H,18,20);1H
InChIKeyXXQUFYYLFMZFTF-UHFFFAOYSA-N
XLogP3.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.69
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704869
N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide
CID 120754693
N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102788769
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-methylpiperazin-1-yl)propanamide
CID 62672823
N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673321
N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63297992
N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882013
N-(3-cyanothiophen-2-yl)-3-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761956
N-(2,5-dichlorophenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119920297
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433
N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962492
3-(2-methylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 62671402

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride (CID 119916621) is N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride is CC1CNCCN1CCC(=O)Nc1cc(Cl)ccc1Cl.Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride?
The InChIKey is XXQUFYYLFMZFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O.ClH/c1-10-9-17-5-7-19(10)6-4-14(20)18-13-8-11(15)2-3-12(13)16;/h2-3,8,10,17H,4-7,9H2,1H3,(H,18,20);1H.
What are the key properties of N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride?
N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride has a molecular weight of 352.69 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119916621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).