(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide

C16H20N4O4 — CID 108833486

IUPAC(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C\N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H20N4O4/c1-23-10-4-18-15(21)13(11-17)12-19-5-7-20(8-6-19)16(22)14-3-2-9-24-14/h2-3,9,12H,4-8,10H2,1H3,(H,18,21)/b13-12-
InChIKeyDBKJTGGWSJUFNV-SEYXRHQNSA-N
MW332.36 g/mol
LogP0.21
Rot. Bonds6

About (Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide

(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 108833486) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide
PubChem CID108833486
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C\N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H20N4O4/c1-23-10-4-18-15(21)13(11-17)12-19-5-7-20(8-6-19)16(22)14-3-2-9-24-14/h2-3,9,12H,4-8,10H2,1H3,(H,18,21)/b13-12-
InChIKeyDBKJTGGWSJUFNV-SEYXRHQNSA-N
XLogP0.21
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-[[(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enoyl]amino]propanoic acid
CID 108844975
(Z)-2-cyano-N-(2-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide
CID 108826797
(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 108822697
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide
CID 108842741
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 109132957
2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 111168505
(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108849078
(Z)-3-(4-acetylpiperazin-1-yl)-N-benzyl-2-cyanoprop-2-enamide
CID 108842155
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46055929
(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)prop-2-enamide
CID 108836765
N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108514040

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide (CID 108833486) is (Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide is COCCNC(=O)/C(C#N)=C\N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is DBKJTGGWSJUFNV-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-23-10-4-18-15(21)13(11-17)12-19-5-7-20(8-6-19)16(22)14-3-2-9-24-14/h2-3,9,12H,4-8,10H2,1H3,(H,18,21)/b13-12-.
What are the key properties of (Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide?
(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 332.36 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 108833486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).