N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide

C13H16ClN3O2 — CID 108995802

IUPACN-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide
SMILESO=CN1CCN(CC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H16ClN3O2/c14-11-2-1-3-12(8-11)15-13(19)9-16-4-6-17(10-18)7-5-16/h1-3,8,10H,4-7,9H2,(H,15,19)
InChIKeyJVEYAXUERXILSG-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.05
Rot. Bonds4

About N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide

N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide (PubChem CID 108995802) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide
PubChem CID108995802
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide
SMILESO=CN1CCN(CC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H16ClN3O2/c14-11-2-1-3-12(8-11)15-13(19)9-16-4-6-17(10-18)7-5-16/h1-3,8,10H,4-7,9H2,(H,15,19)
InChIKeyJVEYAXUERXILSG-UHFFFAOYSA-N
XLogP1.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
CID 34905366
N-(3-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 22195134
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611325
N-(3-chlorophenyl)-2-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide
CID 54170268
N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848226
N-(3-chlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115304932
N-(3-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17491999
2-[4-[2-(3-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164778
N-(3-chlorophenyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]acetamide
CID 17426375
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide (CID 108995802) is N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide is O=CN1CCN(CC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide?
The InChIKey is JVEYAXUERXILSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-11-2-1-3-12(8-11)15-13(19)9-16-4-6-17(10-18)7-5-16/h1-3,8,10H,4-7,9H2,(H,15,19).
What are the key properties of N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide?
N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide has a molecular weight of 281.74 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108995802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).