2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride

C17H27ClN4O2 — CID 120980303

IUPAC2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN(C)CCC(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-14-3-5-15(6-4-14)19-16(22)13-20(2)10-7-17(23)21-11-8-18-9-12-21;/h3-6,18H,7-13H2,1-2H3,(H,19,22);1H
InChIKeyKGBCUDVJUALAGT-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.11
Rot. Bonds6

About 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride

2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120980303) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120980303
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN(C)CCC(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-14-3-5-15(6-4-14)19-16(22)13-20(2)10-7-17(23)21-11-8-18-9-12-21;/h3-6,18H,7-13H2,1-2H3,(H,19,22);1H
InChIKeyKGBCUDVJUALAGT-UHFFFAOYSA-N
XLogP1.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride
CID 120982133
N-(3-fluorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120980407
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
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-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915057
N-(4-methylphenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide
CID 39162201
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778
N-(4-chlorophenyl)-2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]acetamide;hydrochloride
CID 120981664
2-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729509
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915417

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride (CID 120980303) is 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(NC(=O)CN(C)CCC(=O)N2CCNCC2)cc1.Cl.
What is the InChIKey of 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is KGBCUDVJUALAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-14-3-5-15(6-4-14)19-16(22)13-20(2)10-7-17(23)21-11-8-18-9-12-21;/h3-6,18H,7-13H2,1-2H3,(H,19,22);1H.
What are the key properties of 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride?
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120980303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).