ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate

C19H20FN3O3S — CID 9182764

IUPACethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C19H20FN3O3S/c1-2-26-19(25)23-11-9-15(10-12-23)21-22-18(24)17-8-7-16(27-17)13-3-5-14(20)6-4-13/h3-8H,2,9-12H2,1H3,(H,22,24)
InChIKeyWDOBPSZYHACJLE-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.89
Rot. Bonds4

About ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate

ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate (PubChem CID 9182764) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate
PubChem CID9182764
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Nameethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C19H20FN3O3S/c1-2-26-19(25)23-11-9-15(10-12-23)21-22-18(24)17-8-7-16(27-17)13-3-5-14(20)6-4-13/h3-8H,2,9-12H2,1H3,(H,22,24)
InChIKeyWDOBPSZYHACJLE-UHFFFAOYSA-N
XLogP3.89
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate
CID 5236956
ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate
CID 3915088
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]butanoate
CID 37258738
N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 71899679
ethyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinylidene]piperidine-1-carboxylate
CID 9466019
[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192441
ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate
CID 9016927
2-[(E)-1-[5-(4-fluorophenyl)thiophen-2-yl]ethylideneamino]oxy-1-pyrrolidin-1-ylethanone
CID 94536036
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
ethyl 4-[bis(4-fluorophenyl)methylidene]azepane-1-carboxylate
CID 19915762
5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide
CID 37214158

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate (CID 9182764) is ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate is CCOC(=O)N1CCC(=NNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1.
What is the InChIKey of ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate?
The InChIKey is WDOBPSZYHACJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-2-26-19(25)23-11-9-15(10-12-23)21-22-18(24)17-8-7-16(27-17)13-3-5-14(20)6-4-13/h3-8H,2,9-12H2,1H3,(H,22,24).
What are the key properties of ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate?
ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate is sourced from PubChem (CID 9182764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).