N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide

C17H20N4O3 — CID 40533310

IUPACN'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide
SMILESO=C(CN1CCN(c2ccccc2)CC1)NNC(=O)c1ccco1
InChIInChI=1S/C17H20N4O3/c22-16(18-19-17(23)15-7-4-12-24-15)13-20-8-10-21(11-9-20)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,22)(H,19,23)
InChIKeyCKXYNUNEQZLAPU-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.86
Rot. Bonds4

About N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide

N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide (PubChem CID 40533310) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide
PubChem CID40533310
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide
SMILESO=C(CN1CCN(c2ccccc2)CC1)NNC(=O)c1ccco1
InChIInChI=1S/C17H20N4O3/c22-16(18-19-17(23)15-7-4-12-24-15)13-20-8-10-21(11-9-20)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,22)(H,19,23)
InChIKeyCKXYNUNEQZLAPU-UHFFFAOYSA-N
XLogP0.86
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
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'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide
CID 8694149
N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 7162743
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8704277
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
N-(2-piperazin-1-ylacetyl)furan-2-carboxamide
CID 43162394
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone
CID 62050562
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(furan-2-carbonylamino)acetate
CID 7824676
N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 32731119

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide (CID 40533310) is N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide is O=C(CN1CCN(c2ccccc2)CC1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide?
The InChIKey is CKXYNUNEQZLAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(18-19-17(23)15-7-4-12-24-15)13-20-8-10-21(11-9-20)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,22)(H,19,23).
What are the key properties of N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide?
N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide has a molecular weight of 328.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 40533310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).