N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride

C15H23Cl2N3O2 — CID 2916697

IUPACN-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
SMILESCOc1cc(Cl)cc(NC(=O)CCN2CCN(C)CC2)c1.Cl
InChIInChI=1S/C15H22ClN3O2.ClH/c1-18-5-7-19(8-6-18)4-3-15(20)17-13-9-12(16)10-14(11-13)21-2;/h9-11H,3-8H2,1-2H3,(H,17,20);1H
InChIKeyAZIHVTSJXKLMIK-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.35
Rot. Bonds5

About N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride

N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride (PubChem CID 2916697) has the molecular formula C15H23Cl2N3O2 and a molecular weight of 348.27 g/mol. Its IUPAC name is N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
PubChem CID2916697
Molecular FormulaC15H23Cl2N3O2
Molecular Weight348.27 g/mol
Exact Mass347.12
IUPAC NameN-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
SMILESCOc1cc(Cl)cc(NC(=O)CCN2CCN(C)CC2)c1.Cl
InChIInChI=1S/C15H22ClN3O2.ClH/c1-18-5-7-19(8-6-18)4-3-15(20)17-13-9-12(16)10-14(11-13)21-2;/h9-11H,3-8H2,1-2H3,(H,17,20);1H
InChIKeyAZIHVTSJXKLMIK-UHFFFAOYSA-N
XLogP2.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-3-piperidin-1-ylpropanamide
CID 23906957
ethyl 1-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride
CID 90483657
N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149684
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide
CID 91830184
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695553
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 24747079
N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 90485277
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 3236122

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride (CID 2916697) is N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride is COc1cc(Cl)cc(NC(=O)CCN2CCN(C)CC2)c1.Cl.
What is the InChIKey of N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
The InChIKey is AZIHVTSJXKLMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2.ClH/c1-18-5-7-19(8-6-18)4-3-15(20)17-13-9-12(16)10-14(11-13)21-2;/h9-11H,3-8H2,1-2H3,(H,17,20);1H.
What are the key properties of N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride?
N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride has a molecular weight of 348.27 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 2916697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).