N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide

C12H17N3O2 — CID 840590

IUPACN-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide
SMILESCCN1CCC(=NNC(=O)c2ccco2)CC1
InChIInChI=1S/C12H17N3O2/c1-2-15-7-5-10(6-8-15)13-14-12(16)11-4-3-9-17-11/h3-4,9H,2,5-8H2,1H3,(H,14,16)
InChIKeyYQUGQGAGFLRFRZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.48
Rot. Bonds3

About N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide

N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide (PubChem CID 840590) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide
PubChem CID840590
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide
SMILESCCN1CCC(=NNC(=O)c2ccco2)CC1
InChIInChI=1S/C12H17N3O2/c1-2-15-7-5-10(6-8-15)13-14-12(16)11-4-3-9-17-11/h3-4,9H,2,5-8H2,1H3,(H,14,16)
InChIKeyYQUGQGAGFLRFRZ-UHFFFAOYSA-N
XLogP1.48
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-morpholin-4-ylfuran-2-carboxamide
CID 2329857
5-bromo-N'-(1-isopropyl-4-piperidinylidene)-2-furohydrazide
CID 840404
5-bromo-N'-(1-propyl-4-piperidinylidene)-2-furohydrazide
CID 2851629
N-(tert-butyl)-3-(2-furoylhydrazono)butanamide
CID 5822222
N',N'''-Ethanediylidenebis(2-furohydrazide)
CID 6898804
N'-(1-methyl-4-piperidinylidene)-2-furohydrazide
CID 868151
N'-(4-tert-butylcyclohexylidene)-2-furohydrazide
CID 831804
N''-butylfuran-2-carbohydrazide
CID 142329688
2-Furancarboxylic acid, 2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazide
CID 54147
(3E)-N-(furan-2-ylmethyl)-3-[2-(methoxyacetyl)hydrazinylidene]butanamide
CID 6248555
N-(furan-2-ylmethyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 660122
Propyl 2-(2-furoylhydrazono)propanoate
CID 6183681

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide?
The IUPAC name of N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide (CID 840590) is N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide is CCN1CCC(=NNC(=O)c2ccco2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide?
The InChIKey is YQUGQGAGFLRFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-15-7-5-10(6-8-15)13-14-12(16)11-4-3-9-17-11/h3-4,9H,2,5-8H2,1H3,(H,14,16).
What are the key properties of N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide?
N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-ylidene)amino]furan-2-carboxamide is sourced from PubChem (CID 840590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).