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

C15H21Cl2N3O3 — CID 119454727

IUPAC2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)COc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClN3O3.ClH/c1-18(10-14(20)19-8-6-17-7-9-19)15(21)11-22-13-4-2-12(16)3-5-13;/h2-5,17H,6-11H2,1H3;1H
InChIKeySLASIFKBXYKXNP-UHFFFAOYSA-N
MW362.26 g/mol
LogP1.03
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride (PubChem CID 119454727) has the molecular formula C15H21Cl2N3O3 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
PubChem CID119454727
Molecular FormulaC15H21Cl2N3O3
Molecular Weight362.26 g/mol
Exact Mass361.10
IUPAC Name2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCN(CC(=O)N1CCNCC1)C(=O)COc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClN3O3.ClH/c1-18(10-14(20)19-8-6-17-7-9-19)15(21)11-22-13-4-2-12(16)3-5-13;/h2-5,17H,6-11H2,1H3;1H
InChIKeySLASIFKBXYKXNP-UHFFFAOYSA-N
XLogP1.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454929
2-(4-chlorophenoxy)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
CID 63265704
4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454852
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide;dihydrochloride
CID 119454701
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915495
2-(3-chloro-4-fluorophenoxy)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416174
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915080
2-(3,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 119454657
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-propoxyacetamide
CID 103805857
2-(4-chlorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81426221
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride (CID 119454727) is 2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride is CN(CC(=O)N1CCNCC1)C(=O)COc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is SLASIFKBXYKXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3.ClH/c1-18(10-14(20)19-8-6-17-7-9-19)15(21)11-22-13-4-2-12(16)3-5-13;/h2-5,17H,6-11H2,1H3;1H.
What are the key properties of 2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride?
2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 362.26 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119454727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).