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

C13H12Cl2N2O2 — CID 74607633

IUPAC4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one
SMILESO=C1CN(C(=O)C=Cc2cccc(Cl)c2Cl)CCN1
InChIInChI=1S/C13H12Cl2N2O2/c14-10-3-1-2-9(13(10)15)4-5-12(19)17-7-6-16-11(18)8-17/h1-5H,6-8H2,(H,16,18)
InChIKeyRCRZVMZIINMDRZ-UHFFFAOYSA-N
MW299.16 g/mol
LogP1.97
Rot. Bonds2

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

4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one (PubChem CID 74607633) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one
PubChem CID74607633
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one
SMILESO=C1CN(C(=O)C=Cc2cccc(Cl)c2Cl)CCN1
InChIInChI=1S/C13H12Cl2N2O2/c14-10-3-1-2-9(13(10)15)4-5-12(19)17-7-6-16-11(18)8-17/h1-5H,6-8H2,(H,16,18)
InChIKeyRCRZVMZIINMDRZ-UHFFFAOYSA-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

(E)-3-(2,3-dichlorophenyl)-1-(3,4-dihydroxypyrrolidin-1-yl)prop-2-en-1-one
CID 106671313
4-[3-(2,3-dichlorophenyl)prop-2-enoyl]-3-ethylpiperazin-2-one
CID 77000404
4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one
CID 75354993
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)prop-2-en-1-one
CID 74511377
4-[3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-1,4-diazepan-2-one
CID 76976791
4-but-2-enoylpiperazin-2-one
CID 76872122
1-[3-(2,3-dichlorophenyl)prop-2-enoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 76951701
1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-(2,3-dichlorophenyl)prop-2-en-1-one
CID 77104242
4-[3-(3-fluorophenyl)prop-2-enoyl]-1,4-diazepan-2-one
CID 76976459
4-[3-(4-hydroxyphenyl)prop-2-enoyl]-1,4-diazepan-2-one
CID 77066399
(E)-3-(2,3-dichlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9158405
3-(2,3-dichlorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 76941388

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one?
The IUPAC name of 4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one (CID 74607633) is 4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one?
The canonical SMILES for 4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one is O=C1CN(C(=O)C=Cc2cccc(Cl)c2Cl)CCN1.
What is the InChIKey of 4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one?
The InChIKey is RCRZVMZIINMDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c14-10-3-1-2-9(13(10)15)4-5-12(19)17-7-6-16-11(18)8-17/h1-5H,6-8H2,(H,16,18).
What are the key properties of 4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one?
4-[3-(2,3-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-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one is sourced from PubChem (CID 74607633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).