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

C15H22ClN3O2 — CID 119916490

IUPACN-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCC(=O)c1cccc(NC(=O)CN2CCNCC2C)c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11-9-16-6-7-18(11)10-15(20)17-14-5-3-4-13(8-14)12(2)19;/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,17,20);1H
InChIKeyYZANPVDYSUJBRM-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.54
Rot. Bonds4

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

N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 119916490) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID119916490
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCC(=O)c1cccc(NC(=O)CN2CCNCC2C)c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11-9-16-6-7-18(11)10-15(20)17-14-5-3-4-13(8-14)12(2)19;/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,17,20);1H
InChIKeyYZANPVDYSUJBRM-UHFFFAOYSA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916597
N-(3-acetylphenyl)-2-(2-cyanopiperazin-1-yl)acetamide
CID 79094397
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-(4-bromo-3-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672270
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62671387
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678
N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916399
N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82714024
N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755602
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
N-(2,4-difluorophenyl)-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82713919

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride (CID 119916490) is N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride is CC(=O)c1cccc(NC(=O)CN2CCNCC2C)c1.Cl.
What is the InChIKey of N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is YZANPVDYSUJBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-11-9-16-6-7-18(11)10-15(20)17-14-5-3-4-13(8-14)12(2)19;/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,17,20);1H.
What are the key properties of N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119916490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).