N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide

C19H23N3O2 — CID 8518796

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)c(C)o1
InChIInChI=1S/C19H23N3O2/c1-14-12-18(15(2)24-14)19(23)21-20-17-8-10-22(11-9-17)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,21,23)
InChIKeyLGGAVGCXKDAZIY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.28
Rot. Bonds4

About N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide

N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 8518796) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
PubChem CID8518796
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)c(C)o1
InChIInChI=1S/C19H23N3O2/c1-14-12-18(15(2)24-14)19(23)21-20-17-8-10-22(11-9-17)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,21,23)
InChIKeyLGGAVGCXKDAZIY-UHFFFAOYSA-N
XLogP3.28
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.28
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-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dimethylbenzamide
CID 167799834
N-[(1-benzylpiperidin-4-ylidene)amino]benzamide
CID 746769
N-[(1-benzylpiperidin-4-ylidene)amino]-2,4-dichlorobenzamide
CID 1219274
N-(cyclooctylideneamino)-2,5-dimethylfuran-3-carboxamide
CID 7929165
N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
CID 3516684
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
CID 4198414
N-[(1-benzylpiperidin-4-ylidene)amino]-3,4,5-triethoxybenzamide
CID 4244582
N-[(1-benzylpiperidin-4-ylidene)amino]-4-bromo-1H-pyrrole-2-carboxamide
CID 8982682
N-[(1-benzylpiperidin-4-ylidene)amino]-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 5058858
N-[[7-[(3-chlorophenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42362208
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6185796
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide (CID 8518796) is N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)c(C)o1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is LGGAVGCXKDAZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-12-18(15(2)24-14)19(23)21-20-17-8-10-22(11-9-17)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,21,23).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide?
N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 8518796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).