(E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide

C19H19N3O2 — CID 31979982

IUPAC(E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N3O2/c20-14-15(19(23)21-16-7-3-1-4-8-16)13-17-9-10-18(24-17)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,21,23)/b15-13+
InChIKeyCJDXQOMNSXHICA-FYWRMAATSA-N
MW321.38 g/mol
LogP3.82
Rot. Bonds4

About (E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide

(E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide (PubChem CID 31979982) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
PubChem CID31979982
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19N3O2/c20-14-15(19(23)21-16-7-3-1-4-8-16)13-17-9-10-18(24-17)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,21,23)/b15-13+
InChIKeyCJDXQOMNSXHICA-FYWRMAATSA-N
XLogP3.82
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-(azepan-1-yl)furan-2-yl]-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 39427451
(Z)-2-cyano-N-(4-methylphenyl)-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enamide
CID 21212312
N-(2-bromophenyl)-2-cyano-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enamide
CID 5155842
(E)-2-cyano-N-methyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
CID 782493
methyl (E)-2-cyano-3-(5-pyrrolidin-1-ylfuran-2-yl)prop-2-enoate
CID 12603300
(E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 2238851
(E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-phenylprop-2-enamide
CID 877036
(Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
CID 19131342
(Z)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
CID 11947600
4-[5-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 6067734
2-[[(Z)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoyl]amino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 19131434
3-[5-(4-chlorophenyl)furan-2-yl]-2-cyano-N-phenylprop-2-enamide
CID 796826

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide (CID 31979982) is (E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide is N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccccc1.
What is the InChIKey of (E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
The InChIKey is CJDXQOMNSXHICA-FYWRMAATSA-N. The full InChI is InChI=1S/C19H19N3O2/c20-14-15(19(23)21-16-7-3-1-4-8-16)13-17-9-10-18(24-17)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,21,23)/b15-13+.
What are the key properties of (E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
(E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-phenyl-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 31979982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).