3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide

C15H24N4O — CID 63619720

IUPAC3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide
SMILESCCC1CN(Cc2cccc(C(=O)NN)c2)CCN1C
InChIInChI=1S/C15H24N4O/c1-3-14-11-19(8-7-18(14)2)10-12-5-4-6-13(9-12)15(20)17-16/h4-6,9,14H,3,7-8,10-11,16H2,1-2H3,(H,17,20)
InChIKeyPGYBKBGLZTWHMO-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.82
Rot. Bonds4

About 3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide

3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide (PubChem CID 63619720) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide
PubChem CID63619720
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide
SMILESCCC1CN(Cc2cccc(C(=O)NN)c2)CCN1C
InChIInChI=1S/C15H24N4O/c1-3-14-11-19(8-7-18(14)2)10-12-5-4-6-13(9-12)15(20)17-16/h4-6,9,14H,3,7-8,10-11,16H2,1-2H3,(H,17,20)
InChIKeyPGYBKBGLZTWHMO-UHFFFAOYSA-N
XLogP0.82
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 63577694
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3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 114801981
3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide
CID 63573220
3-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]benzoic acid
CID 122029016
3-[(2,4-diethylpiperazin-1-yl)methyl]benzoic acid
CID 122035094
[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633908
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
CID 55214615
3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide
CID 107408896
N-(1-amino-2-methylpropan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119523575
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzoic acid
CID 114485539

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide?
The IUPAC name of 3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide (CID 63619720) is 3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide is CCC1CN(Cc2cccc(C(=O)NN)c2)CCN1C.
What is the InChIKey of 3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide?
The InChIKey is PGYBKBGLZTWHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-14-11-19(8-7-18(14)2)10-12-5-4-6-13(9-12)15(20)17-16/h4-6,9,14H,3,7-8,10-11,16H2,1-2H3,(H,17,20).
What are the key properties of 3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide?
3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide has a molecular weight of 276.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 63619720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).