N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride

C13H19Cl2N3O — CID 119924493

IUPACN-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCC1CN(CC(=O)Nc2ccc(Cl)cc2)CCN1.Cl
InChIInChI=1S/C13H18ClN3O.ClH/c1-10-8-17(7-6-15-10)9-13(18)16-12-4-2-11(14)3-5-12;/h2-5,10,15H,6-9H2,1H3,(H,16,18);1H
InChIKeySTSBFXBMPUJUEM-UHFFFAOYSA-N
MW304.22 g/mol
LogP1.99
Rot. Bonds3

About N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride

N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 119924493) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID119924493
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC NameN-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCC1CN(CC(=O)Nc2ccc(Cl)cc2)CCN1.Cl
InChIInChI=1S/C13H18ClN3O.ClH/c1-10-8-17(7-6-15-10)9-13(18)16-12-4-2-11(14)3-5-12;/h2-5,10,15H,6-9H2,1H3,(H,16,18);1H
InChIKeySTSBFXBMPUJUEM-UHFFFAOYSA-N
XLogP1.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924663
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
N-(3-chlorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976986
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65449046
N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976875
N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975276
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119924470
N-[4-(cyanomethyl)phenyl]-2-(3-methylpiperazin-1-yl)acetamide
CID 65449601
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158
2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 104975748

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride (CID 119924493) is N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride is CC1CN(CC(=O)Nc2ccc(Cl)cc2)CCN1.Cl.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is STSBFXBMPUJUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O.ClH/c1-10-8-17(7-6-15-10)9-13(18)16-12-4-2-11(14)3-5-12;/h2-5,10,15H,6-9H2,1H3,(H,16,18);1H.
What are the key properties of N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride?
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 304.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119924493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).