N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride

C15H21ClF2N4O2 — CID 119915065

IUPACN-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
SMILESCN(CC(=O)Nc1cc(F)ccc1F)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C15H20F2N4O2.ClH/c1-20(10-15(23)21-6-4-18-5-7-21)9-14(22)19-13-8-11(16)2-3-12(13)17;/h2-3,8,18H,4-7,9-10H2,1H3,(H,19,22);1H
InChIKeyKGAWSBCHMSHFSZ-UHFFFAOYSA-N
MW362.81 g/mol
LogP0.69
Rot. Bonds5

About N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride

N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride (PubChem CID 119915065) has the molecular formula C15H21ClF2N4O2 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
PubChem CID119915065
Molecular FormulaC15H21ClF2N4O2
Molecular Weight362.81 g/mol
Exact Mass362.13
IUPAC NameN-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
SMILESCN(CC(=O)Nc1cc(F)ccc1F)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C15H20F2N4O2.ClH/c1-20(10-15(23)21-6-4-18-5-7-21)9-14(22)19-13-8-11(16)2-3-12(13)17;/h2-3,8,18H,4-7,9-10H2,1H3,(H,19,22);1H
InChIKeyKGAWSBCHMSHFSZ-UHFFFAOYSA-N
XLogP0.69
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119914877
N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
N-(2,6-dichlorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914958
N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915057
N-(3-fluorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120980407
N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119915334
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915417
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61017528
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62134144
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119914969
2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454848

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride (CID 119915065) is N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride is CN(CC(=O)Nc1cc(F)ccc1F)CC(=O)N1CCNCC1.Cl.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride?
The InChIKey is KGAWSBCHMSHFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O2.ClH/c1-20(10-15(23)21-6-4-18-5-7-21)9-14(22)19-13-8-11(16)2-3-12(13)17;/h2-3,8,18H,4-7,9-10H2,1H3,(H,19,22);1H.
What are the key properties of N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride?
N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride has a molecular weight of 362.81 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119915065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).