2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide

C14H20N4O2 — CID 63569716

IUPAC2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide
SMILESCC(=O)N1CCN(Cc2ccccc2C(=O)NN)CC1
InChIInChI=1S/C14H20N4O2/c1-11(19)18-8-6-17(7-9-18)10-12-4-2-3-5-13(12)14(20)16-15/h2-5H,6-10,15H2,1H3,(H,16,20)
InChIKeyUYPGIRVRHNHABC-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.05
Rot. Bonds3

About 2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide

2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide (PubChem CID 63569716) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide
PubChem CID63569716
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide
SMILESCC(=O)N1CCN(Cc2ccccc2C(=O)NN)CC1
InChIInChI=1S/C14H20N4O2/c1-11(19)18-8-6-17(7-9-18)10-12-4-2-3-5-13(12)14(20)16-15/h2-5H,6-10,15H2,1H3,(H,16,20)
InChIKeyUYPGIRVRHNHABC-UHFFFAOYSA-N
XLogP-0.05
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.05
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

2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
CID 63573428
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide
CID 63573353
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
CID 82689559
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 112629323
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide
CID 66371242
N-methyl-2-(piperazin-1-ylmethyl)benzamide
CID 82510273
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
3-[(4-acetylpiperazin-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107115292
2-[(3-oxo-1,4-diazepan-1-yl)methyl]benzohydrazide
CID 65366363
1-[4-[(3-amino-2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 43509104
ethyl 4-[(2-carbamothioylphenyl)methyl]piperazine-1-carboxylate
CID 107877007

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide?
The IUPAC name of 2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide (CID 63569716) is 2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide is CC(=O)N1CCN(Cc2ccccc2C(=O)NN)CC1.
What is the InChIKey of 2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide?
The InChIKey is UYPGIRVRHNHABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-11(19)18-8-6-17(7-9-18)10-12-4-2-3-5-13(12)14(20)16-15/h2-5H,6-10,15H2,1H3,(H,16,20).
What are the key properties of 2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide?
2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide has a molecular weight of 276.34 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 63569716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).