(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide

C17H27N3O — CID 108830249

IUPAC(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide
SMILESCC1CCN(/C=C(/C#N)C(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C17H27N3O/c1-14-8-10-20(11-9-14)13-15(12-18)17(21)19(2)16-6-4-3-5-7-16/h13-14,16H,3-11H2,1-2H3/b15-13-
InChIKeyJIIZUTBVEBPNLP-SQFISAMPSA-N
MW289.42 g/mol
LogP2.92
Rot. Bonds3

About (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide (PubChem CID 108830249) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide
PubChem CID108830249
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide
SMILESCC1CCN(/C=C(/C#N)C(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C17H27N3O/c1-14-8-10-20(11-9-14)13-15(12-18)17(21)19(2)16-6-4-3-5-7-16/h13-14,16H,3-11H2,1-2H3/b15-13-
InChIKeyJIIZUTBVEBPNLP-SQFISAMPSA-N
XLogP2.92
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
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'}

Analyze (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830251
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)-N-methylprop-2-enamide
CID 108830473
tert-butyl 4-[(Z)-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108838749
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830256
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide
CID 108830218
(Z)-3-[butyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830427
(Z)-3-[benzyl(methyl)amino]-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830342
(Z)-3-(2-bromoanilino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830481
N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108830488
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide
CID 108830504
(Z)-2-cyano-N-cyclohexyl-3-(2,2-dimethoxyethylamino)-N-methylprop-2-enamide
CID 108830445
(Z)-3-(4-formylpiperazin-1-yl)-2-(4-methylpiperidine-1-carbonyl)prop-2-enenitrile
CID 108831943

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide (CID 108830249) is (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide is CC1CCN(/C=C(/C#N)C(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide?
The InChIKey is JIIZUTBVEBPNLP-SQFISAMPSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-8-10-20(11-9-14)13-15(12-18)17(21)19(2)16-6-4-3-5-7-16/h13-14,16H,3-11H2,1-2H3/b15-13-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide has a molecular weight of 289.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-N-methyl-3-(4-methylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 108830249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).