(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide

C17H19Cl2N3O — CID 108828864

IUPAC(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
SMILESCC1CC(C)CN(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H19Cl2N3O/c1-11-5-12(2)9-22(8-11)10-13(7-20)17(23)21-16-4-3-14(18)6-15(16)19/h3-4,6,10-12H,5,8-9H2,1-2H3,(H,21,23)/b13-10-
InChIKeyHHFKKQPWFRGLHO-RAXLEYEMSA-N
MW352.27 g/mol
LogP4.32
Rot. Bonds3

About (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide

(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide (PubChem CID 108828864) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
PubChem CID108828864
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
SMILESCC1CC(C)CN(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H19Cl2N3O/c1-11-5-12(2)9-22(8-11)10-13(7-20)17(23)21-16-4-3-14(18)6-15(16)19/h3-4,6,10-12H,5,8-9H2,1-2H3,(H,21,23)/b13-10-
InChIKeyHHFKKQPWFRGLHO-RAXLEYEMSA-N
XLogP4.32
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.32
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-(5-chloro-2-methoxyphenyl)-2-cyano-3-(3-methylpiperidin-1-yl)prop-2-enamide
CID 108827776
(Z)-2-cyano-3-(3,5-dimethylpiperidin-1-yl)-N-(4-nitrophenyl)prop-2-enamide
CID 108853010
(Z)-N-(4-amino-2-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide
CID 108859451
(Z)-3-(1-adamantylamino)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828978
(Z)-N-(3-chlorophenyl)-2-cyano-3-[(3R)-3-methylpiperidin-1-yl]prop-2-enamide
CID 98394768
N-(3-chlorophenyl)-2-cyano-3-[(3R)-3-methylpiperidin-1-yl]prop-2-enamide
CID 7463196
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-piperazin-1-ylprop-2-enamide
CID 108825381
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide
CID 108825445
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(4-ethylpiperazin-1-yl)prop-2-enamide
CID 108825604
(Z)-N-benzyl-2-cyano-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide
CID 108842221
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(2-ethylanilino)prop-2-enamide
CID 108828959
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]prop-2-enamide
CID 99885305

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide (CID 108828864) is (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide is CC1CC(C)CN(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide?
The InChIKey is HHFKKQPWFRGLHO-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-11-5-12(2)9-22(8-11)10-13(7-20)17(23)21-16-4-3-14(18)6-15(16)19/h3-4,6,10-12H,5,8-9H2,1-2H3,(H,21,23)/b13-10-.
What are the key properties of (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide?
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide has a molecular weight of 352.27 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,4-dichlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 108828864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).