ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate

C17H22N2O3 — CID 6445279

IUPACethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H22N2O3/c1-2-22-17(21)14-18-10-12-19(13-11-18)16(20)9-8-15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3/b9-8+
InChIKeyMWYNEGMYLOZHKP-CMDGGOBGSA-N
MW302.37 g/mol
LogP1.41
Rot. Bonds5

About ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate

ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate (PubChem CID 6445279) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate
PubChem CID6445279
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H22N2O3/c1-2-22-17(21)14-18-10-12-19(13-11-18)16(20)9-8-15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3/b9-8+
InChIKeyMWYNEGMYLOZHKP-CMDGGOBGSA-N
XLogP1.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate 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

ethyl 4-(3-phenylprop-2-enoyl)piperazine-1-carboxylate
CID 3334141
(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 717624
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
2-[4-[(E)-3-(3-aminophenyl)prop-2-enoyl]piperazin-1-yl]acetic acid
CID 115343530
(E)-1-(4-ethylpiperazin-1-yl)-3-(3-phenylphenyl)prop-2-en-1-one
CID 75362636
2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetic acid;hydrochloride
CID 20840061
(E)-1-[4-[(2S)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97038768
4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
CID 85433979
ethyl 4-[3-(4-ethoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
CID 102603355
(E)-3-(3-aminophenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one
CID 39360436
(E)-3-phenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 90508586

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate (CID 6445279) is ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate is CCOC(=O)CN1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate?
The InChIKey is MWYNEGMYLOZHKP-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-22-17(21)14-18-10-12-19(13-11-18)16(20)9-8-15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3/b9-8+.
What are the key properties of ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate?
ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate has a molecular weight of 302.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 6445279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).