4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide

C16H17FN4O2S — CID 17428053

IUPAC4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
SMILESO=C(NNC(=O)N1CCN(c2ccccc2F)CC1)c1cccs1
InChIInChI=1S/C16H17FN4O2S/c17-12-4-1-2-5-13(12)20-7-9-21(10-8-20)16(23)19-18-15(22)14-6-3-11-24-14/h1-6,11H,7-10H2,(H,18,22)(H,19,23)
InChIKeyJNLXRQTYZQDHTL-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.06
Rot. Bonds2

About 4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide

4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide (PubChem CID 17428053) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
PubChem CID17428053
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
SMILESO=C(NNC(=O)N1CCN(c2ccccc2F)CC1)c1cccs1
InChIInChI=1S/C16H17FN4O2S/c17-12-4-1-2-5-13(12)20-7-9-21(10-8-20)16(23)19-18-15(22)14-6-3-11-24-14/h1-6,11H,7-10H2,(H,18,22)(H,19,23)
InChIKeyJNLXRQTYZQDHTL-UHFFFAOYSA-N
XLogP2.06
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
CID 17394875
4-(4-fluorophenyl)-N-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 110866159
[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 17418431
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 25348569
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223
N-(2-fluorophenyl)-4-[2-(piperidine-1-carbonyl)-4-(thiophene-2-carbonylamino)phenyl]-1,4-diazepane-1-carboxamide
CID 42678976
N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108867571
[4-(2-fluorophenyl)piperazin-1-yl]-(4-sulfanylthiophen-2-yl)methanone
CID 107023625
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681327
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide?
The IUPAC name of 4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide (CID 17428053) is 4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide.
What is the SMILES notation for 4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide?
The canonical SMILES for 4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide is O=C(NNC(=O)N1CCN(c2ccccc2F)CC1)c1cccs1.
What is the InChIKey of 4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide?
The InChIKey is JNLXRQTYZQDHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c17-12-4-1-2-5-13(12)20-7-9-21(10-8-20)16(23)19-18-15(22)14-6-3-11-24-14/h1-6,11H,7-10H2,(H,18,22)(H,19,23).
What are the key properties of 4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide?
4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide has a molecular weight of 348.40 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide is sourced from PubChem (CID 17428053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).