3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one

C18H20Cl2N2O3 — CID 4827545

IUPAC3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H20Cl2N2O3/c19-14-5-3-13(15(20)12-14)4-6-17(23)21-7-9-22(10-8-21)18(24)16-2-1-11-25-16/h3-6,12,16H,1-2,7-11H2
InChIKeyJKGNBTDYBYVGFX-UHFFFAOYSA-N
MW383.28 g/mol
LogP2.86
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one

3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 4827545) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID4827545
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H20Cl2N2O3/c19-14-5-3-13(15(20)12-14)4-6-17(23)21-7-9-22(10-8-21)18(24)16-2-1-11-25-16/h3-6,12,16H,1-2,7-11H2
InChIKeyJKGNBTDYBYVGFX-UHFFFAOYSA-N
XLogP2.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)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)-3-[2-chloro-5-(trifluoromethyl)phenyl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 78771268
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 44917313
(E)-3-(2,4-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 39161596
(E)-3-(2,4-dichlorophenyl)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 41310449
(E)-4-oxo-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]but-2-enoic acid
CID 43402234
[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 51169379
3-(1,3-benzoxazol-2-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 103597613
[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 47027374
(E)-3-(2,4-dichlorophenyl)-1-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 8857598
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one (CID 4827545) is 3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one is O=C(C=Cc1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is JKGNBTDYBYVGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c19-14-5-3-13(15(20)12-14)4-6-17(23)21-7-9-22(10-8-21)18(24)16-2-1-11-25-16/h3-6,12,16H,1-2,7-11H2.
What are the key properties of 3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one?
3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 383.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 4827545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).