1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione

C16H19ClN2O2 — CID 106440626

IUPAC1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione
SMILESC/C(=C\Cl)CN1C(=O)C(C)NC(=O)C1(C)c1ccccc1
InChIInChI=1S/C16H19ClN2O2/c1-11(9-17)10-19-14(20)12(2)18-15(21)16(19,3)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,18,21)/b11-9+
InChIKeyLUNHWHJGXUYMOX-PKNBQFBNSA-N
MW306.79 g/mol
LogP2.39
Rot. Bonds3

About 1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione

1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione (PubChem CID 106440626) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione
PubChem CID106440626
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione
SMILESC/C(=C\Cl)CN1C(=O)C(C)NC(=O)C1(C)c1ccccc1
InChIInChI=1S/C16H19ClN2O2/c1-11(9-17)10-19-14(20)12(2)18-15(21)16(19,3)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,18,21)/b11-9+
InChIKeyLUNHWHJGXUYMOX-PKNBQFBNSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione with MolForge

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Related Compounds

1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64903675
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione
CID 106440716
1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 80697567
1-[(E)-3-chloro-2-methylprop-2-enyl]-2,5-dimethyl-2-phenylpiperazine
CID 106440345
1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64902260
1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 106440619
3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
CID 64902453
1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione
CID 64902778
3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
CID 64886030
6-ethyl-3,6-dimethyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione
CID 79206432
5-methyl-1-(4-methylpentyl)-5-phenylimidazolidine-2,4-dione
CID 83169332
3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64886536

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione (CID 106440626) is 1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione is C/C(=C\Cl)CN1C(=O)C(C)NC(=O)C1(C)c1ccccc1.
What is the InChIKey of 1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione?
The InChIKey is LUNHWHJGXUYMOX-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11(9-17)10-19-14(20)12(2)18-15(21)16(19,3)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,18,21)/b11-9+.
What are the key properties of 1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione?
1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione has a molecular weight of 306.79 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloro-2-methylprop-2-enyl]-3,6-dimethyl-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 106440626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).