N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide

C15H22N4O3 — CID 78787526

IUPACN'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCN(CCO)CC1)NNC(=O)c1ccccc1
InChIInChI=1S/C15H22N4O3/c20-11-10-18-6-8-19(9-7-18)12-14(21)16-17-15(22)13-4-2-1-3-5-13/h1-5,20H,6-12H2,(H,16,21)(H,17,22)
InChIKeyGASWKDMHDKGLLT-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.94
Rot. Bonds5

About N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide

N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide (PubChem CID 78787526) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide
PubChem CID78787526
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCN(CCO)CC1)NNC(=O)c1ccccc1
InChIInChI=1S/C15H22N4O3/c20-11-10-18-6-8-19(9-7-18)12-14(21)16-17-15(22)13-4-2-1-3-5-13/h1-5,20H,6-12H2,(H,16,21)(H,17,22)
InChIKeyGASWKDMHDKGLLT-UHFFFAOYSA-N
XLogP-0.94
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-morpholin-4-ylacetyl)benzohydrazide
CID 8903734
N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide
CID 78833168
N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide
CID 62916316
N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide
CID 8758998
N'-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]benzohydrazide
CID 8898901
N'-[2-(3-methylpiperazin-1-yl)acetyl]benzohydrazide
CID 65449993
N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide
CID 61295576
4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide
CID 9372733
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450
N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 51176255
N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 66262005
4-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]carbamoyl]benzoic acid
CID 21108836

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide (CID 78787526) is N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide is O=C(CN1CCN(CCO)CC1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide?
The InChIKey is GASWKDMHDKGLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-11-10-18-6-8-19(9-7-18)12-14(21)16-17-15(22)13-4-2-1-3-5-13/h1-5,20H,6-12H2,(H,16,21)(H,17,22).
What are the key properties of N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide?
N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide has a molecular weight of 306.37 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 78787526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).