(E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide

C21H25N3O2 — CID 30857760

IUPAC(E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-23-13-15-24(16-14-23)19-10-8-18(9-11-19)22-21(25)12-7-17-5-3-4-6-20(17)26-2/h3-12H,13-16H2,1-2H3,(H,22,25)/b12-7+
InChIKeyHYNYDOWZDZWEKV-KPKJPENVSA-N
MW351.45 g/mol
LogP3.10
Rot. Bonds5

About (E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide (PubChem CID 30857760) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
PubChem CID30857760
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-23-13-15-24(16-14-23)19-10-8-18(9-11-19)22-21(25)12-7-17-5-3-4-6-20(17)26-2/h3-12H,13-16H2,1-2H3,(H,22,25)/b12-7+
InChIKeyHYNYDOWZDZWEKV-KPKJPENVSA-N
XLogP3.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 30857317
(E)-N-[4-(azepan-1-yl)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7582196
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46524125
N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4095390
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 78791975
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7551049
3-(2-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4506725
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
N-[(2-methoxyphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527615
(E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 100508734

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide (CID 30857760) is (E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide?
The InChIKey is HYNYDOWZDZWEKV-KPKJPENVSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23-13-15-24(16-14-23)19-10-8-18(9-11-19)22-21(25)12-7-17-5-3-4-6-20(17)26-2/h3-12H,13-16H2,1-2H3,(H,22,25)/b12-7+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide has a molecular weight of 351.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 30857760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).