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

C15H24ClN3O — CID 119916597

IUPACN-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCCc1cccc(NC(=O)CN2CCNCC2C)c1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-3-13-5-4-6-14(9-13)17-15(19)11-18-8-7-16-10-12(18)2;/h4-6,9,12,16H,3,7-8,10-11H2,1-2H3,(H,17,19);1H
InChIKeyBYMKMWIIWPSRLX-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.90
Rot. Bonds4

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

N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 119916597) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID119916597
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCCc1cccc(NC(=O)CN2CCNCC2C)c1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-3-13-5-4-6-14(9-13)17-15(19)11-18-8-7-16-10-12(18)2;/h4-6,9,12,16H,3,7-8,10-11H2,1-2H3,(H,17,19);1H
InChIKeyBYMKMWIIWPSRLX-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916490
2-(2-cyanopiperazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 79085741
N-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753435
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-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755602
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
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
2-[(2R)-2-methylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 82713294

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride (CID 119916597) is N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride is CCc1cccc(NC(=O)CN2CCNCC2C)c1.Cl.
What is the InChIKey of N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is BYMKMWIIWPSRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-3-13-5-4-6-14(9-13)17-15(19)11-18-8-7-16-10-12(18)2;/h4-6,9,12,16H,3,7-8,10-11H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride?
N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119916597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).