(E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

C24H25N3O3 — CID 132591136

IUPAC(E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
SMILESCOc1cc(N)ccc1-c1ccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C24H25N3O3/c1-29-23-17-18(25)7-10-21(23)22-11-8-20(30-22)9-12-24(28)27-15-13-26(14-16-27)19-5-3-2-4-6-19/h2-12,17H,13-16,25H2,1H3/b12-9+
InChIKeyINLCKEMYQYHHGV-FMIVXFBMSA-N
MW403.48 g/mol
LogP3.90
Rot. Bonds5

About (E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

(E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 132591136) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
PubChem CID132591136
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
SMILESCOc1cc(N)ccc1-c1ccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C24H25N3O3/c1-29-23-17-18(25)7-10-21(23)22-11-8-20(30-22)9-12-24(28)27-15-13-26(14-16-27)19-5-3-2-4-6-19/h2-12,17H,13-16,25H2,1H3/b12-9+
InChIKeyINLCKEMYQYHHGV-FMIVXFBMSA-N
XLogP3.90
TPSA71.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one 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

(E)-3-[5-(4-amino-2-bromophenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 132591144
(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one
CID 27041698
(E)-3-(2,6-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 126239343
(Z)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-en-1-one
CID 129449640
(Z)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-en-1-one
CID 100844934
(E)-4-[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 82533862
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 164610772
(E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one
CID 59149603
(E)-3-[5-(4-amino-2-methylphenyl)furan-2-yl]-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 132591002
(E)-3-(5-methylfuran-2-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 31421152
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]prop-2-enamide
CID 17050142
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one;hydrochloride
CID 13100447

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one (CID 132591136) is (E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one is COc1cc(N)ccc1-c1ccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of (E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is INLCKEMYQYHHGV-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-23-17-18(25)7-10-21(23)22-11-8-20(30-22)9-12-24(28)27-15-13-26(14-16-27)19-5-3-2-4-6-19/h2-12,17H,13-16,25H2,1H3/b12-9+.
What are the key properties of (E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one?
(E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 403.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 132591136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).