1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide

C14H18FN3O2S — CID 63581145

IUPAC1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)CSc2ccccc2F)CC1
InChIInChI=1S/C14H18FN3O2S/c15-11-3-1-2-4-12(11)21-9-13(19)18-7-5-10(6-8-18)14(20)17-16/h1-4,10H,5-9,16H2,(H,17,20)
InChIKeyQFNLIEHTLUAHTM-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.15
Rot. Bonds4

About 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide

1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide (PubChem CID 63581145) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide
PubChem CID63581145
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)CSc2ccccc2F)CC1
InChIInChI=1S/C14H18FN3O2S/c15-11-3-1-2-4-12(11)21-9-13(19)18-7-5-10(6-8-18)14(20)17-16/h1-4,10H,5-9,16H2,(H,17,20)
InChIKeyQFNLIEHTLUAHTM-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.15
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-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 39965228
1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 107782874
1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63590293
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-fluorophenyl)sulfanylethanone
CID 106671689
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide
CID 63581531
N-cyclopropyl-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide
CID 51329075
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
CID 119374934
1-[2-(N-methylanilino)acetyl]piperidine-4-carbohydrazide
CID 63568830
1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66218506
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 107760970
N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 55779186

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide (CID 63581145) is 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)CSc2ccccc2F)CC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide?
The InChIKey is QFNLIEHTLUAHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c15-11-3-1-2-4-12(11)21-9-13(19)18-7-5-10(6-8-18)14(20)17-16/h1-4,10H,5-9,16H2,(H,17,20).
What are the key properties of 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide?
1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide has a molecular weight of 311.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63581145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).