1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione

C15H17ClN2O2 — CID 107902290

IUPAC1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(c2ccccc2)C(=O)N1C/C=C/Cl
InChIInChI=1S/C15H17ClN2O2/c1-2-12-14(19)17-13(11-7-4-3-5-8-11)15(20)18(12)10-6-9-16/h3-9,12-13H,2,10H2,1H3,(H,17,19)/b9-6+
InChIKeyQNTSLFRRGYXLGY-RMKNXTFCSA-N
MW292.77 g/mol
LogP2.22
Rot. Bonds4

About 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione

1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione (PubChem CID 107902290) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione
PubChem CID107902290
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(c2ccccc2)C(=O)N1C/C=C/Cl
InChIInChI=1S/C15H17ClN2O2/c1-2-12-14(19)17-13(11-7-4-3-5-8-11)15(20)18(12)10-6-9-16/h3-9,12-13H,2,10H2,1H3,(H,17,19)/b9-6+
InChIKeyQNTSLFRRGYXLGY-RMKNXTFCSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-3-phenylpiperazine-2,5-dione
CID 107902293
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
CID 107902386
1-(2,2-difluoroethyl)-3-phenyl-6-propylpiperazine-2,5-dione
CID 64886696
6-cyclopropyl-1-ethyl-3-phenylpiperazine-2,5-dione
CID 64885933
1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64887460
1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione
CID 107902004
6-methyl-3-phenyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963667
1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione
CID 64885551
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
1-[(E)-but-2-enyl]-6-ethyl-6-methyl-3-phenylpiperazine-2,5-dione
CID 107898345
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione (CID 107902290) is 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione is CCC1C(=O)NC(c2ccccc2)C(=O)N1C/C=C/Cl.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione?
The InChIKey is QNTSLFRRGYXLGY-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-12-14(19)17-13(11-7-4-3-5-8-11)15(20)18(12)10-6-9-16/h3-9,12-13H,2,10H2,1H3,(H,17,19)/b9-6+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione?
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione has a molecular weight of 292.77 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 107902290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).