(E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide

C18H20N2O3S — CID 71786750

IUPAC(E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)NCC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C18H20N2O3S/c21-17(2-1-15-6-10-24-13-15)19-11-14-3-7-20(8-4-14)18(22)16-5-9-23-12-16/h1-2,5-6,9-10,12-14H,3-4,7-8,11H2,(H,19,21)/b2-1+
InChIKeyXZYRUVMZIZMTBH-OWOJBTEDSA-N
MW344.44 g/mol
LogP3.02
Rot. Bonds5

About (E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 71786750) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID71786750
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)NCC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C18H20N2O3S/c21-17(2-1-15-6-10-24-13-15)19-11-14-3-7-20(8-4-14)18(22)16-5-9-23-12-16/h1-2,5-6,9-10,12-14H,3-4,7-8,11H2,(H,19,21)/b2-1+
InChIKeyXZYRUVMZIZMTBH-OWOJBTEDSA-N
XLogP3.02
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
CID 71960802
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 71786690
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
CID 171137023
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 71960807
1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
CID 90522000
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid
CID 174690173
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 90521763
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
CID 90521933
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 90521938
[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 80666702

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide (CID 71786750) is (E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide is O=C(/C=C/c1ccsc1)NCC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of (E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is XZYRUVMZIZMTBH-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-17(2-1-15-6-10-24-13-15)19-11-14-3-7-20(8-4-14)18(22)16-5-9-23-12-16/h1-2,5-6,9-10,12-14H,3-4,7-8,11H2,(H,19,21)/b2-1+.
What are the key properties of (E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 344.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 71786750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).