2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride

C15H21Cl2N3O2 — CID 119454929

IUPAC2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-18(11-15(21)19-8-6-17-7-9-19)14(20)10-12-2-4-13(16)5-3-12;/h2-5,17H,6-11H2,1H3;1H
InChIKeyJKSNZGCAFVFPFM-UHFFFAOYSA-N
MW346.26 g/mol
LogP1.19
Rot. Bonds4

About 2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride

2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride (PubChem CID 119454929) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
PubChem CID119454929
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)Cc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-18(11-15(21)19-8-6-17-7-9-19)14(20)10-12-2-4-13(16)5-3-12;/h2-5,17H,6-11H2,1H3;1H
InChIKeyJKSNZGCAFVFPFM-UHFFFAOYSA-N
XLogP1.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 119454657
2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454727
2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454848
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915495
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride
CID 119454701
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 43603133
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride
CID 119454684
2-bromo-4-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 103805865
2-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60963104
4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501
2-(4-chlorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 81428539
4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83931157

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride (CID 119454929) is 2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride is CN(CC(=O)N1CCNCC1)C(=O)Cc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is JKSNZGCAFVFPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2.ClH/c1-18(11-15(21)19-8-6-17-7-9-19)14(20)10-12-2-4-13(16)5-3-12;/h2-5,17H,6-11H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride?
2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 346.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119454929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).