(E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide

C18H20N2O2 — CID 890356

IUPAC(E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C18H20N2O2/c21-18(11-10-15-7-6-14-22-15)19-16-8-2-3-9-17(16)20-12-4-1-5-13-20/h2-3,6-11,14H,1,4-5,12-13H2,(H,19,21)/b11-10+
InChIKeyDOFAPARIUADDKR-ZHACJKMWSA-N
MW296.37 g/mol
LogP3.92
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 890356) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID890356
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C18H20N2O2/c21-18(11-10-15-7-6-14-22-15)19-16-8-2-3-9-17(16)20-12-4-1-5-13-20/h2-3,6-11,14H,1,4-5,12-13H2,(H,19,21)/b11-10+
InChIKeyDOFAPARIUADDKR-ZHACJKMWSA-N
XLogP3.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
(E)-3-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide;oxalic acid
CID 44350586
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-furamide
CID 842983
Furan-2-carboxylic acid [2-(4-isobutyryl-piperazin-1-yl)-phenyl]-amide
CID 953772
(E)-3-(furan-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 963834
(E)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 2672624
2,5-dimethyl-N-(2-morpholinophenyl)-3-furamide
CID 2811740
N-[3-(2-furyl)acryloyl]-N'-[2-(4-isobutyryl-1-piperazinyl)phenyl]thiourea
CID 6180473
N-(furan-2-ylmethyl)-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
CID 16293711
2-[4-(2-furoyl)piperazino]-N-phenyl-propionamide
CID 16327673
N-(2,4-difluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 3688258

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide (CID 890356) is (E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccccc1N1CCCCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is DOFAPARIUADDKR-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(11-10-15-7-6-14-22-15)19-16-8-2-3-9-17(16)20-12-4-1-5-13-20/h2-3,6-11,14H,1,4-5,12-13H2,(H,19,21)/b11-10+.
What are the key properties of (E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 296.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 890356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).