N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride

C14H21Cl2N3O — CID 17221281

IUPACN-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O.ClH/c15-13-3-1-12(2-4-13)5-6-17-14(19)11-18-9-7-16-8-10-18;/h1-4,16H,5-11H2,(H,17,19);1H
InChIKeyUXXLQEOVCFPDLG-UHFFFAOYSA-N
MW318.25 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride

N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride (PubChem CID 17221281) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
PubChem CID17221281
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCNCC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O.ClH/c15-13-3-1-12(2-4-13)5-6-17-14(19)11-18-9-7-16-8-10-18;/h1-4,16H,5-11H2,(H,17,19);1H
InChIKeyUXXLQEOVCFPDLG-UHFFFAOYSA-N
XLogP1.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 54943649
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787213
2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62839241
N-[2-(4-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 52602062
N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 43348758
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55551039
2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 55123139
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 106047885
N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 28505813
1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119905062
2-(1,4-diazepan-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62832012
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride (CID 17221281) is N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride is Cl.O=C(CN1CCNCC1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride?
The InChIKey is UXXLQEOVCFPDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O.ClH/c15-13-3-1-12(2-4-13)5-6-17-14(19)11-18-9-7-16-8-10-18;/h1-4,16H,5-11H2,(H,17,19);1H.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride?
N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride has a molecular weight of 318.25 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 17221281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).