(E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one

C21H24N2O — CID 75362636

IUPAC(E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one
SMILESCCN1CCN(C(=O)/C=C/c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C21H24N2O/c1-2-22-13-15-23(16-14-22)21(24)12-11-18-7-6-10-20(17-18)19-8-4-3-5-9-19/h3-12,17H,2,13-16H2,1H3/b12-11+
InChIKeyLEHQDVCBDGRRNA-VAWYXSNFSA-N
MW320.44 g/mol
LogP3.53
Rot. Bonds4

About (E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one

(E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one (PubChem CID 75362636) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one
PubChem CID75362636
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one
SMILESCCN1CCN(C(=O)/C=C/c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C21H24N2O/c1-2-22-13-15-23(16-14-22)21(24)12-11-18-7-6-10-20(17-18)19-8-4-3-5-9-19/h3-12,17H,2,13-16H2,1H3/b12-11+
InChIKeyLEHQDVCBDGRRNA-VAWYXSNFSA-N
XLogP3.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)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-(3-aminophenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one
CID 39360436
(E)-3-(3-aminophenyl)-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 115342682
3-[3-(4-ethylpiperazine-1-carbonyl)phenyl]prop-2-enoic acid
CID 76906517
ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate
CID 6445279
2-[4-[(E)-3-(3-aminophenyl)prop-2-enoyl]piperazin-1-yl]acetic acid
CID 115343530
1-(4-ethylpiperazin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 898287
(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 717624
(E)-1-(4-benzylpiperazin-1-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 2598370
1-(4-ethylpiperazin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 3440273
(E)-3-(3-chlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one
CID 6058638
1-(4-benzylpiperazin-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 1371458
ethyl 4-(3-phenylprop-2-enoyl)piperazine-1-carboxylate
CID 3334141

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one (CID 75362636) is (E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one is CCN1CCN(C(=O)/C=C/c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of (E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one?
The InChIKey is LEHQDVCBDGRRNA-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-22-13-15-23(16-14-22)21(24)12-11-18-7-6-10-20(17-18)19-8-4-3-5-9-19/h3-12,17H,2,13-16H2,1H3/b12-11+.
What are the key properties of (E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one?
(E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one has a molecular weight of 320.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 75362636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).