ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate

C14H18N4O3 — CID 5236956

IUPACethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(=O)c2ccncc2)CC1
InChIInChI=1S/C14H18N4O3/c1-2-21-14(20)18-9-5-12(6-10-18)16-17-13(19)11-3-7-15-8-4-11/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,19)
InChIKeySNMPZLJONWVIFT-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.42
Rot. Bonds3

About ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate

ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate (PubChem CID 5236956) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate
PubChem CID5236956
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Nameethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(=O)c2ccncc2)CC1
InChIInChI=1S/C14H18N4O3/c1-2-21-14(20)18-9-5-12(6-10-18)16-17-13(19)11-3-7-15-8-4-11/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,19)
InChIKeySNMPZLJONWVIFT-UHFFFAOYSA-N
XLogP1.42
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.42
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-[(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinylidene]piperidine-1-carboxylate
CID 9466019
ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate
CID 3915088
ethyl 4-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]piperidine-1-carboxylate
CID 9016927
N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
ethyl 4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]piperidine-1-carboxylate
CID 9182764
ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate
CID 9462986
ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate
CID 9317266
ethyl 4-[[2-(1,3-benzothiazol-2-ylamino)acetyl]hydrazinylidene]piperidine-1-carboxylate
CID 9030687
4-chloro-3-[2-(1-ethoxycarbonylpiperidin-4-ylidene)hydrazinyl]benzoate
CID 8973679
ethyl 3-hydroxyiminopyrrolidine-1-carboxylate
CID 71434528
ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate
CID 8900489
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate (CID 5236956) is ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate is CCOC(=O)N1CCC(=NNC(=O)c2ccncc2)CC1.
What is the InChIKey of ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate?
The InChIKey is SNMPZLJONWVIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-21-14(20)18-9-5-12(6-10-18)16-17-13(19)11-3-7-15-8-4-11/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,19).
What are the key properties of ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate?
ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate is sourced from PubChem (CID 5236956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).