(E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one

C17H26N2O3 — CID 75534043

IUPAC(E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)N2CCN(CCOC(C)C)CC2)o1
InChIInChI=1S/C17H26N2O3/c1-14(2)21-13-12-18-8-10-19(11-9-18)17(20)7-6-16-5-4-15(3)22-16/h4-7,14H,8-13H2,1-3H3/b7-6+
InChIKeyQJJJUMNCBKXZJT-VOTSOKGWSA-N
MW306.41 g/mol
LogP2.17
Rot. Bonds6

About (E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one

(E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 75534043) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID75534043
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)N2CCN(CCOC(C)C)CC2)o1
InChIInChI=1S/C17H26N2O3/c1-14(2)21-13-12-18-8-10-19(11-9-18)17(20)7-6-16-5-4-15(3)22-16/h4-7,14H,8-13H2,1-3H3/b7-6+
InChIKeyQJJJUMNCBKXZJT-VOTSOKGWSA-N
XLogP2.17
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-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)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 43416155
3-(5-methylfuran-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 4198718
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 77003919
(E)-1-(azepan-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 874177
2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]-N-phenylacetamide
CID 31348888
1-(4-ethylpiperazin-4-ium-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 4746082
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one;hydrochloride
CID 91941429
N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 34436231
(E)-3-(5-methylfuran-2-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 31421152
(E)-3-(5-methylfuran-2-yl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 26267131
(E)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 7303051
(Z)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 99115950

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one (CID 75534043) is (E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one is Cc1ccc(/C=C/C(=O)N2CCN(CCOC(C)C)CC2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is QJJJUMNCBKXZJT-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14(2)21-13-12-18-8-10-19(11-9-18)17(20)7-6-16-5-4-15(3)22-16/h4-7,14H,8-13H2,1-3H3/b7-6+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one?
(E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 306.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 75534043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).