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

C23H25N3O3 — CID 126235904

IUPAC(Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2OC)cc1
InChIInChI=1S/C23H25N3O3/c1-28-21-10-7-19(8-11-21)25-23(27)18(16-24)14-17-6-9-20(15-22(17)29-2)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,25,27)/b18-14-
InChIKeyUAKPEMUNDGSVLO-JXAWBTAJSA-N
MW391.47 g/mol
LogP4.24
Rot. Bonds6

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

(Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 126235904) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID126235904
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2OC)cc1
InChIInChI=1S/C23H25N3O3/c1-28-21-10-7-19(8-11-21)25-23(27)18(16-24)14-17-6-9-20(15-22(17)29-2)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,25,27)/b18-14-
InChIKeyUAKPEMUNDGSVLO-JXAWBTAJSA-N
XLogP4.24
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(Z)-2-cyano-N-(4-fluorophenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide
CID 126246961
(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide
CID 126249208
3-[[(Z)-2-cyano-3-(2-methoxy-4-pyrrolidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid
CID 124548314
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(2-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 126235804
N-(3-chloro-2-methylphenyl)-2-cyano-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide
CID 75312625
2-cyano-3-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 5222131
(E)-2-cyano-3-(6-methoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 126089879
(Z)-2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 2188180
(E)-2-cyano-3-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 7972166
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide
CID 126380096
(E)-2-cyano-3-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)prop-2-enamide
CID 1274803
(Z)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 52513905

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide (CID 126235904) is (Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide is COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2OC)cc1.
What is the InChIKey of (Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is UAKPEMUNDGSVLO-JXAWBTAJSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-21-10-7-19(8-11-21)25-23(27)18(16-24)14-17-6-9-20(15-22(17)29-2)26-12-4-3-5-13-26/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,25,27)/b18-14-.
What are the key properties of (Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide?
(Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 391.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(4-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 126235904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).