(Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide

C17H21N3O — CID 108821441

IUPAC(Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C(C#N)=C\N1CCCCC1C
InChIInChI=1S/C17H21N3O/c1-13-7-3-4-9-16(13)19-17(21)15(11-18)12-20-10-6-5-8-14(20)2/h3-4,7,9,12,14H,5-6,8,10H2,1-2H3,(H,19,21)/b15-12-
InChIKeyZXELWUYITAPHLM-QINSGFPZSA-N
MW283.38 g/mol
LogP3.22
Rot. Bonds3

About (Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide

(Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide (PubChem CID 108821441) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide
PubChem CID108821441
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C(C#N)=C\N1CCCCC1C
InChIInChI=1S/C17H21N3O/c1-13-7-3-4-9-16(13)19-17(21)15(11-18)12-20-10-6-5-8-14(20)2/h3-4,7,9,12,14H,5-6,8,10H2,1-2H3,(H,19,21)/b15-12-
InChIKeyZXELWUYITAPHLM-QINSGFPZSA-N
XLogP3.22
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.22
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)-2-cyano-N-(2-methylphenyl)-3-(2-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)-2-cyano-3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824796
(Z)-2-cyano-3-(2-methylpiperidin-1-yl)-N-(2-nitrophenyl)prop-2-enamide
CID 108816594
(Z)-N-(4-bromophenyl)-2-cyano-3-(2-methylpiperidin-1-yl)prop-2-enamide
CID 108815849
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide
CID 108815115
(Z)-2-cyano-3-(2-methylpiperidin-1-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 108853407
(Z)-N-(2-chlorophenyl)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
CID 108824569
(Z)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824942
(Z)-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide
CID 108821214
(Z)-2-cyano-N-(2-methylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-enamide
CID 108821538
(Z)-3-(azepan-1-yl)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855253
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide
CID 108823632

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide (CID 108821441) is (Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide is Cc1ccccc1NC(=O)/C(C#N)=C\N1CCCCC1C.
What is the InChIKey of (Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide?
The InChIKey is ZXELWUYITAPHLM-QINSGFPZSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-7-3-4-9-16(13)19-17(21)15(11-18)12-20-10-6-5-8-14(20)2/h3-4,7,9,12,14H,5-6,8,10H2,1-2H3,(H,19,21)/b15-12-.
What are the key properties of (Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide?
(Z)-2-cyano-N-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide has a molecular weight of 283.38 g/mol, XLogP of 3.22, 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-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 108821441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).