(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide

C18H22ClN3O — CID 108822200

IUPAC(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\N2C(C)CCCC2C)cc1Cl
InChIInChI=1S/C18H22ClN3O/c1-12-7-8-16(9-17(12)19)21-18(23)15(10-20)11-22-13(2)5-4-6-14(22)3/h7-9,11,13-14H,4-6H2,1-3H3,(H,21,23)/b15-11-
InChIKeyBDCWKPRVLCROCL-PTNGSMBKSA-N
MW331.85 g/mol
LogP4.26
Rot. Bonds3

About (Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide

(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide (PubChem CID 108822200) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is (Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
PubChem CID108822200
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\N2C(C)CCCC2C)cc1Cl
InChIInChI=1S/C18H22ClN3O/c1-12-7-8-16(9-17(12)19)21-18(23)15(10-20)11-22-13(2)5-4-6-14(22)3/h7-9,11,13-14H,4-6H2,1-3H3,(H,21,23)/b15-11-
InChIKeyBDCWKPRVLCROCL-PTNGSMBKSA-N
XLogP4.26
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.26
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'}

Analyze (Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-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)-N-(3-acetylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
CID 108856777
(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108822227
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
CID 108849327
(Z)-N-(3-chloro-4-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-cyanoprop-2-enamide
CID 108822131
(Z)-3-(3-chloro-4-methylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858474
(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,4-dichloroanilino)prop-2-enamide
CID 108822050
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide
CID 108815115
4-[[(Z)-3-(3-chloro-4-methylanilino)-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108823151
(Z)-N-(4-bromophenyl)-2-cyano-3-(2-methylpiperidin-1-yl)prop-2-enamide
CID 108815849
(E)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide
CID 877231
(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-[2-hydroxyethyl(methyl)amino]prop-2-enamide
CID 108822218
(Z)-3-(2-acetamidoethylamino)-N-(3-chloro-4-methylphenyl)-2-cyanoprop-2-enamide
CID 108822276

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide (CID 108822200) is (Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\N2C(C)CCCC2C)cc1Cl.
What is the InChIKey of (Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide?
The InChIKey is BDCWKPRVLCROCL-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-12-7-8-16(9-17(12)19)21-18(23)15(10-20)11-22-13(2)5-4-6-14(22)3/h7-9,11,13-14H,4-6H2,1-3H3,(H,21,23)/b15-11-.
What are the key properties of (Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide?
(Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide has a molecular weight of 331.85 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 108822200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).