(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide

C21H29N3O — CID 108849327

IUPAC(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C(C#N)=C\N1C(C)CCCC1C
InChIInChI=1S/C21H29N3O/c1-5-17-11-8-12-18(6-2)20(17)23-21(25)19(13-22)14-24-15(3)9-7-10-16(24)4/h8,11-12,14-16H,5-7,9-10H2,1-4H3,(H,23,25)/b19-14-
InChIKeyZBNYHMNWAQVSTR-RGEXLXHISA-N
MW339.48 g/mol
LogP4.42
Rot. Bonds5

About (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide

(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide (PubChem CID 108849327) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
PubChem CID108849327
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C(C#N)=C\N1C(C)CCCC1C
InChIInChI=1S/C21H29N3O/c1-5-17-11-8-12-18(6-2)20(17)23-21(25)19(13-22)14-24-15(3)9-7-10-16(24)4/h8,11-12,14-16H,5-7,9-10H2,1-4H3,(H,23,25)/b19-14-
InChIKeyZBNYHMNWAQVSTR-RGEXLXHISA-N
XLogP4.42
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(3-acetylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
CID 108856777
(Z)-2-cyano-3-(cyclododecylamino)-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849268
(Z)-2-cyano-3-(cyclohexylamino)-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849184
(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
CID 108822200
(Z)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849414
(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849394
2-[[(Z)-2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]amino]propanoic acid
CID 108849220
(Z)-3-(4-aminoanilino)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
CID 108849148
(Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide
CID 108831412
(E)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 19175490
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(4-methoxyanilino)prop-2-enamide
CID 108849176
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108849155

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide (CID 108849327) is (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide is CCc1cccc(CC)c1NC(=O)/C(C#N)=C\N1C(C)CCCC1C.
What is the InChIKey of (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide?
The InChIKey is ZBNYHMNWAQVSTR-RGEXLXHISA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-17-11-8-12-18(6-2)20(17)23-21(25)19(13-22)14-24-15(3)9-7-10-16(24)4/h8,11-12,14-16H,5-7,9-10H2,1-4H3,(H,23,25)/b19-14-.
What are the key properties of (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide?
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide has a molecular weight of 339.48 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 108849327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).