(Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide

C16H19N3O — CID 26477461

IUPAC(Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H19N3O/c1-18-16(20)14(12-17)11-13-5-7-15(8-6-13)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,18,20)/b14-11-
InChIKeyWDFWURVIJKNJCU-KAMYIIQDSA-N
MW269.35 g/mol
LogP2.33
Rot. Bonds3

About (Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide

(Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 26477461) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID26477461
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H19N3O/c1-18-16(20)14(12-17)11-13-5-7-15(8-6-13)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,18,20)/b14-11-
InChIKeyWDFWURVIJKNJCU-KAMYIIQDSA-N
XLogP2.33
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 7824488
N-butyl-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 4806212
(E)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 71667419
(2Z)-2-[[4-(azepan-1-yl)phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 56777682
(E)-2-cyano-N-(4-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 957135
(E)-3-(4-chlorophenyl)-2-cyano-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 1185360
(E)-2-cyano-3-phenyl-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 2238851
(Z)-2-cyano-N-[[3-[[[(Z)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 25017804
(E)-2-cyano-N-(2-ethylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 1278925
butan-1-ol;(E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide;ethane;propane
CID 145041551
2-benzoyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 3977368
(E)-2-cyano-3-(4-morpholin-4-ylphenyl)-N-propan-2-ylprop-2-enamide
CID 7939296

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide (CID 26477461) is (Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide is CNC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1.
What is the InChIKey of (Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is WDFWURVIJKNJCU-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H19N3O/c1-18-16(20)14(12-17)11-13-5-7-15(8-6-13)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,18,20)/b14-11-.
What are the key properties of (Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide?
(Z)-2-cyano-N-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 269.35 g/mol, XLogP of 2.33, 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-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 26477461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).