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

C25H32N4O3 — CID 108842741

IUPAC(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide
SMILESCC(NC(=O)/C(C#N)=C\N1CCN(C(=O)c2ccco2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H32N4O3/c1-17(25-12-18-9-19(13-25)11-20(10-18)14-25)27-23(30)21(15-26)16-28-4-6-29(7-5-28)24(31)22-3-2-8-32-22/h2-3,8,16-20H,4-7,9-14H2,1H3,(H,27,30)/b21-16-
InChIKeyOFCYRHIAZAQGFX-PGMHBOJBSA-N
MW436.56 g/mol
LogP3.17
Rot. Bonds5

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

(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide (PubChem CID 108842741) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide
PubChem CID108842741
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide
SMILESCC(NC(=O)/C(C#N)=C\N1CCN(C(=O)c2ccco2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H32N4O3/c1-17(25-12-18-9-19(13-25)11-20(10-18)14-25)27-23(30)21(15-26)16-28-4-6-29(7-5-28)24(31)22-3-2-8-32-22/h2-3,8,16-20H,4-7,9-14H2,1H3,(H,27,30)/b21-16-
InChIKeyOFCYRHIAZAQGFX-PGMHBOJBSA-N
XLogP3.17
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enoyl]amino]propanoic acid
CID 108844975
ethyl 4-[(Z)-3-[1-(1-adamantyl)ethylamino]-2-cyano-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108842744
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enamide
CID 108842752
(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)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 108822697
(Z)-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxyethyl)prop-2-enamide
CID 108833486
(Z)-2-cyano-N-(2-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide
CID 108826797
4-[[(Z)-3-[1-(1-adamantyl)ethylamino]-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108842678
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-(2,6-diethylanilino)prop-2-enamide
CID 108842522
4-[[[(Z)-3-[1-(1-adamantyl)ethylamino]-2-cyano-3-oxoprop-1-enyl]amino]methyl]benzoic acid
CID 108842593
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[2-(2-methoxyphenyl)ethylamino]prop-2-enamide
CID 108842770
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide?
The IUPAC name of (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide (CID 108842741) is (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide.
What is the SMILES notation for (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide?
The canonical SMILES for (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide is CC(NC(=O)/C(C#N)=C\N1CCN(C(=O)c2ccco2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide?
The InChIKey is OFCYRHIAZAQGFX-PGMHBOJBSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17(25-12-18-9-19(13-25)11-20(10-18)14-25)27-23(30)21(15-26)16-28-4-6-29(7-5-28)24(31)22-3-2-8-32-22/h2-3,8,16-20H,4-7,9-14H2,1H3,(H,27,30)/b21-16-.
What are the key properties of (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide?
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide has a molecular weight of 436.56 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide is sourced from PubChem (CID 108842741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).