(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide

C24H27N3O2 — CID 126249208

IUPAC(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide
SMILESCOc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C24H27N3O2/c1-17-11-18(2)13-21(12-17)26-24(28)20(16-25)14-19-7-8-22(15-23(19)29-3)27-9-5-4-6-10-27/h7-8,11-15H,4-6,9-10H2,1-3H3,(H,26,28)/b20-14-
InChIKeyUNTBCIWNIJQQLC-ZHZULCJRSA-N
MW389.50 g/mol
LogP4.85
Rot. Bonds5

About (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide

(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 126249208) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID126249208
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide
SMILESCOc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C24H27N3O2/c1-17-11-18(2)13-21(12-17)26-24(28)20(16-25)14-19-7-8-22(15-23(19)29-3)27-9-5-4-6-10-27/h7-8,11-15H,4-6,9-10H2,1-3H3,(H,26,28)/b20-14-
InChIKeyUNTBCIWNIJQQLC-ZHZULCJRSA-N
XLogP4.85
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide
CID 126235904
(Z)-2-cyano-N-(4-fluorophenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide
CID 126246961
3-[[(Z)-2-cyano-3-(2-methoxy-4-pyrrolidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid
CID 124548314
N-(3-chloro-2-methylphenyl)-2-cyano-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide
CID 75312625
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(2-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 126235804
2-cyano-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 3677507
4-[(E)-1-cyano-2-(2-methoxy-4-piperidin-1-ylphenyl)ethenyl]benzoate
CID 7366481
(E)-2-cyano-N-(3-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 40612303
3-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-phenylprop-2-enenitrile
CID 3156653
(E)-2-cyano-N-(3,5-dimethylphenyl)-3-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 50859726
(Z)-2-cyano-3-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)prop-2-enamide
CID 1352233
2-methoxy-4-piperidin-1-ylbenzaldehyde
CID 3156699

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide (CID 126249208) is (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide is COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is UNTBCIWNIJQQLC-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-11-18(2)13-21(12-17)26-24(28)20(16-25)14-19-7-8-22(15-23(19)29-3)27-9-5-4-6-10-27/h7-8,11-15H,4-6,9-10H2,1-3H3,(H,26,28)/b20-14-.
What are the key properties of (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide?
(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 389.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(2-methoxy-4-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 126249208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).