2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide

C14H19ClN4O2 — CID 77012457

IUPAC2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN4O2/c1-10(13(16)17-21)18-6-8-19(9-7-18)14(20)11-2-4-12(15)5-3-11/h2-5,10,21H,6-9H2,1H3,(H2,16,17)
InChIKeyDBECWNSWJMYSKV-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.23
Rot. Bonds3

About 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 77012457) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID77012457
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN4O2/c1-10(13(16)17-21)18-6-8-19(9-7-18)14(20)11-2-4-12(15)5-3-11/h2-5,10,21H,6-9H2,1H3,(H2,16,17)
InChIKeyDBECWNSWJMYSKV-UHFFFAOYSA-N
XLogP1.23
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 107965201
(4-chlorophenyl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 90085028
(2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279414
2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87561124
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide
CID 134063131
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide
CID 110750479
2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 24674627
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119704881
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]propanethioamide
CID 63340378

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide (CID 77012457) is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide is CC(C(N)=NO)N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is DBECWNSWJMYSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-10(13(16)17-21)18-6-8-19(9-7-18)14(20)11-2-4-12(15)5-3-11/h2-5,10,21H,6-9H2,1H3,(H2,16,17).
What are the key properties of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 310.79 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77012457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).