2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

C14H21Cl2N3O — CID 119448868

IUPAC2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(Cl)c1)NCCN1CCNCC1
InChIInChI=1S/C14H20ClN3O.ClH/c15-13-3-1-2-12(10-13)11-14(19)17-6-9-18-7-4-16-5-8-18;/h1-3,10,16H,4-9,11H2,(H,17,19);1H
InChIKeyVOQZCLHGIHVMQG-UHFFFAOYSA-N
MW318.25 g/mol
LogP1.33
Rot. Bonds5

About 2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (PubChem CID 119448868) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
PubChem CID119448868
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(Cl)c1)NCCN1CCNCC1
InChIInChI=1S/C14H20ClN3O.ClH/c15-13-3-1-2-12(10-13)11-14(19)17-6-9-18-7-4-16-5-8-18;/h1-3,10,16H,4-9,11H2,(H,17,19);1H
InChIKeyVOQZCLHGIHVMQG-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

1-[2-(3-chlorophenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108901401
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391216
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817
N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 43348758
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446399
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (CID 119448868) is 2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is Cl.O=C(Cc1cccc(Cl)c1)NCCN1CCNCC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is VOQZCLHGIHVMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O.ClH/c15-13-3-1-2-12(10-13)11-14(19)17-6-9-18-7-4-16-5-8-18;/h1-3,10,16H,4-9,11H2,(H,17,19);1H.
What are the key properties of 2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;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 2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119448868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).