N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide

C14H22N4O — CID 177376836

IUPACN'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide
SMILESCCNNC(=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N4O/c1-3-15-16-14(19)12-4-6-13(7-5-12)18-10-8-17(2)9-11-18/h4-7,15H,3,8-11H2,1-2H3,(H,16,19)
InChIKeyUSBRNSYEATYGJM-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.69
Rot. Bonds4

About N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide

N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide (PubChem CID 177376836) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide
PubChem CID177376836
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide
SMILESCCNNC(=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N4O/c1-3-15-16-14(19)12-4-6-13(7-5-12)18-10-8-17(2)9-11-18/h4-7,15H,3,8-11H2,1-2H3,(H,16,19)
InChIKeyUSBRNSYEATYGJM-UHFFFAOYSA-N
XLogP0.69
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide
CID 177318198
4-(4-methylpiperazin-1-yl)benzoate
CID 86673981
2-amino-2-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]butan-1-one
CID 146187047
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
4-(4-methylpiperazin-1-yl)benzoyl chloride;hydrochloride
CID 86712573
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 110405180
4-bromo-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889266
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 91766537

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide?
The IUPAC name of N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide (CID 177376836) is N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide.
What is the SMILES notation for N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide?
The canonical SMILES for N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide is CCNNC(=O)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide?
The InChIKey is USBRNSYEATYGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-15-16-14(19)12-4-6-13(7-5-12)18-10-8-17(2)9-11-18/h4-7,15H,3,8-11H2,1-2H3,(H,16,19).
What are the key properties of N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide?
N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide has a molecular weight of 262.36 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-(4-methylpiperazin-1-yl)benzohydrazide is sourced from PubChem (CID 177376836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).