N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide

C18H22N4O3 — CID 2677075

IUPACN'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccco1
InChIInChI=1S/C18H22N4O3/c23-17(19-20-18(24)16-7-4-14-25-16)8-9-21-10-12-22(13-11-21)15-5-2-1-3-6-15/h1-7,14H,8-13H2,(H,19,23)(H,20,24)
InChIKeyVUTJKPJGNDVJGG-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.25
Rot. Bonds5

About N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide

N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide (PubChem CID 2677075) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
PubChem CID2677075
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccco1
InChIInChI=1S/C18H22N4O3/c23-17(19-20-18(24)16-7-4-14-25-16)8-9-21-10-12-22(13-11-21)15-5-2-1-3-6-15/h1-7,14H,8-13H2,(H,19,23)(H,20,24)
InChIKeyVUTJKPJGNDVJGG-UHFFFAOYSA-N
XLogP1.25
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.25
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'-[2-(4-phenylpiperazin-1-yl)acetyl]furan-2-carbohydrazide
CID 40533310
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
3-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 24979593
1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide
CID 26245753
2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 7551003
2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 26523820
4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide
CID 8968237
N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4169019
3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 29354060
1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide
CID 31962588
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7550980
N'-[3-(4-chlorophenyl)sulfanylpropanoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4541503

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide?
The IUPAC name of N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide (CID 2677075) is N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide is O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide?
The InChIKey is VUTJKPJGNDVJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(19-20-18(24)16-7-4-14-25-16)8-9-21-10-12-22(13-11-21)15-5-2-1-3-6-15/h1-7,14H,8-13H2,(H,19,23)(H,20,24).
What are the key properties of N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide?
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide has a molecular weight of 342.40 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide is sourced from PubChem (CID 2677075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).