4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one

C13H12Cl2N2O2 — CID 2469898

IUPAC4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one
SMILESO=C1CN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C13H12Cl2N2O2/c14-10-3-1-9(11(15)7-10)2-4-13(19)17-6-5-16-12(18)8-17/h1-4,7H,5-6,8H2,(H,16,18)/b4-2+
InChIKeyVXRONVNIWVPYLE-DUXPYHPUSA-N
MW299.16 g/mol
LogP1.97
Rot. Bonds2

About 4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one

4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one (PubChem CID 2469898) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one
PubChem CID2469898
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one
SMILESO=C1CN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C13H12Cl2N2O2/c14-10-3-1-9(11(15)7-10)2-4-13(19)17-6-5-16-12(18)8-17/h1-4,7H,5-6,8H2,(H,16,18)/b4-2+
InChIKeyVXRONVNIWVPYLE-DUXPYHPUSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]benzamide
CID 2468467
N-[(2E)-3-(2,6-dichlorophenyl)prop-2-enoyl]glycine
CID 5813887
3-(4-Chloro-phenyl)-N-(2-morpholin-4-yl-ethyl)-acrylamide
CID 784772
3-(4-Chloro-phenyl)-1-(4-methyl-piperazin-1-yl)-propenone
CID 809660
1-[3-(4-Chlorophenyl)acryloyl]-4-methylpiperazine
CID 2053897
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 2490398
2,4-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 5195773
N-[(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl]glycine
CID 5793140
(S,E)-3-(2-chlorobenzylidene)-6-methylpiperazine-2,5-dione
CID 6582014
(3S,6S)-4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3,6-diisobutyl-piperazin-2-one
CID 68158248
(3S,6S)-4-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3,6-diisobutyl-piperazin-2-one
CID 68158429
1-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 118679067

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one?
The IUPAC name of 4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one (CID 2469898) is 4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one.
What is the SMILES notation for 4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one?
The canonical SMILES for 4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one is O=C1CN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CCN1.
What is the InChIKey of 4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one?
The InChIKey is VXRONVNIWVPYLE-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c14-10-3-1-9(11(15)7-10)2-4-13(19)17-6-5-16-12(18)8-17/h1-4,7H,5-6,8H2,(H,16,18)/b4-2+.
What are the key properties of 4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one?
4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one has a molecular weight of 299.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one is sourced from PubChem (CID 2469898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).