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

C17H24N2O3 — CID 2326380

IUPAC(E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one
SMILESCCN1CCN(C(=O)/C=C/c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H24N2O3/c1-4-18-9-11-19(12-10-18)17(20)8-6-14-5-7-15(21-2)16(13-14)22-3/h5-8,13H,4,9-12H2,1-3H3/b8-6+
InChIKeyVVCQPALVUPFVFU-SOFGYWHQSA-N
MW304.39 g/mol
LogP1.88
Rot. Bonds5

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

(E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 2326380) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one
PubChem CID2326380
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one
SMILESCCN1CCN(C(=O)/C=C/c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H24N2O3/c1-4-18-9-11-19(12-10-18)17(20)8-6-14-5-7-15(21-2)16(13-14)22-3/h5-8,13H,4,9-12H2,1-3H3/b8-6+
InChIKeyVVCQPALVUPFVFU-SOFGYWHQSA-N
XLogP1.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Piperine
CID 638024
Piperlongumine
CID 637858
Pipernonaline
CID 9974595
Chavicine
CID 1548912
Cinepazide
CID 5282459
Dehydropipernonaline
CID 6439947
Piperanine
CID 5320618
Piperettine
CID 10244953
Ilepcimide
CID 641115
Cinepazet
CID 6434395
1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one
CID 643764
2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E)-
CID 4840

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one (CID 2326380) is (E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one is CCN1CCN(C(=O)/C=C/c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is VVCQPALVUPFVFU-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-18-9-11-19(12-10-18)17(20)8-6-14-5-7-15(21-2)16(13-14)22-3/h5-8,13H,4,9-12H2,1-3H3/b8-6+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one?
(E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 2326380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).