N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide

C20H24N4O2 — CID 51113389

IUPACN'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide
SMILESCc1cccc(N2CCN(C(=O)NNC(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C20H24N4O2/c1-15-7-6-10-18(16(15)2)23-11-13-24(14-12-23)20(26)22-21-19(25)17-8-4-3-5-9-17/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyARSIQLOFXFQZQB-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.48
Rot. Bonds2

About N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide

N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide (PubChem CID 51113389) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide
PubChem CID51113389
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide
SMILESCc1cccc(N2CCN(C(=O)NNC(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C20H24N4O2/c1-15-7-6-10-18(16(15)2)23-11-13-24(14-12-23)20(26)22-21-19(25)17-8-4-3-5-9-17/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyARSIQLOFXFQZQB-UHFFFAOYSA-N
XLogP2.48
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
CID 108903729
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897065
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108944716
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide
CID 109044078
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methylamino)propan-1-one
CID 60719002
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide?
The IUPAC name of N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide (CID 51113389) is N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide.
What is the SMILES notation for N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide?
The canonical SMILES for N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide is Cc1cccc(N2CCN(C(=O)NNC(=O)c3ccccc3)CC2)c1C.
What is the InChIKey of N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide?
The InChIKey is ARSIQLOFXFQZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-7-6-10-18(16(15)2)23-11-13-24(14-12-23)20(26)22-21-19(25)17-8-4-3-5-9-17/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide?
N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide has a molecular weight of 352.44 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide is sourced from PubChem (CID 51113389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).