(E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one

C19H22N2O3 — CID 97038867

IUPAC(E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCN(C[C@H](O)c2ccco2)CC1
InChIInChI=1S/C19H22N2O3/c22-17(18-7-4-14-24-18)15-20-10-12-21(13-11-20)19(23)9-8-16-5-2-1-3-6-16/h1-9,14,17,22H,10-13,15H2/b9-8+/t17-/m0/s1
InChIKeyLPXBNDLJBHCUHT-IJDCCNJMSA-N
MW326.40 g/mol
LogP2.17
Rot. Bonds5

About (E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one

(E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 97038867) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
PubChem CID97038867
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCN(C[C@H](O)c2ccco2)CC1
InChIInChI=1S/C19H22N2O3/c22-17(18-7-4-14-24-18)15-20-10-12-21(13-11-20)19(23)9-8-16-5-2-1-3-6-16/h1-9,14,17,22H,10-13,15H2/b9-8+/t17-/m0/s1
InChIKeyLPXBNDLJBHCUHT-IJDCCNJMSA-N
XLogP2.17
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-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

1-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
CID 91939147
(E)-1-[4-[(2S)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97038768
N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783448
(E)-1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 1119139
2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol
CID 71683705
(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 717624
N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458
4-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 71783464
1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 97038886
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
(E)-1-[4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 86913295
cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride
CID 71783234

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one (CID 97038867) is (E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCN(C[C@H](O)c2ccco2)CC1.
What is the InChIKey of (E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is LPXBNDLJBHCUHT-IJDCCNJMSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17(18-7-4-14-24-18)15-20-10-12-21(13-11-20)19(23)9-8-16-5-2-1-3-6-16/h1-9,14,17,22H,10-13,15H2/b9-8+/t17-/m0/s1.
What are the key properties of (E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one?
(E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 97038867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).