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

C16H19ClN2O2 — CID 107902386

IUPAC1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(c2ccccc2)C(=O)N1C/C=C/Cl
InChIInChI=1S/C16H19ClN2O2/c1-3-13-14(20)18-16(2,12-8-5-4-6-9-12)15(21)19(13)11-7-10-17/h4-10,13H,3,11H2,1-2H3,(H,18,20)/b10-7+
InChIKeyKFPYCGUHCWLAGF-JXMROGBWSA-N
MW306.79 g/mol
LogP2.39
Rot. Bonds4

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

1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione (PubChem CID 107902386) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
PubChem CID107902386
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(c2ccccc2)C(=O)N1C/C=C/Cl
InChIInChI=1S/C16H19ClN2O2/c1-3-13-14(20)18-16(2,12-8-5-4-6-9-12)15(21)19(13)11-7-10-17/h4-10,13H,3,11H2,1-2H3,(H,18,20)/b10-7+
InChIKeyKFPYCGUHCWLAGF-JXMROGBWSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-[(E)-but-2-enyl]-3,6-dimethyl-3-phenylpiperazine-2,5-dione
CID 107898394
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-phenylpiperazine-2,5-dione
CID 107902290
1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
CID 64879640
1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
1-[(E)-3-chloroprop-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 107902225
1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64887381
3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione
CID 19438036
(5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7041273
6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
CID 64883494
1-[(E)-but-2-enyl]-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 107898396
6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione
CID 64968919
1-[(E)-3-chloroprop-2-enyl]-3-methyl-6-propylpiperazine-2,5-dione
CID 107902004

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione (CID 107902386) is 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione is CCC1C(=O)NC(C)(c2ccccc2)C(=O)N1C/C=C/Cl.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione?
The InChIKey is KFPYCGUHCWLAGF-JXMROGBWSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-3-13-14(20)18-16(2,12-8-5-4-6-9-12)15(21)19(13)11-7-10-17/h4-10,13H,3,11H2,1-2H3,(H,18,20)/b10-7+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione?
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione has a molecular weight of 306.79 g/mol, XLogP of 2.39, 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-methyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 107902386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).