1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione

C14H21ClN2O2 — CID 107902298

IUPAC1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C2CC2)C(=O)N1C/C=C/Cl
InChIInChI=1S/C14H21ClN2O2/c1-9(2)11-12(18)16-14(3,10-5-6-10)13(19)17(11)8-4-7-15/h4,7,9-11H,5-6,8H2,1-3H3,(H,16,18)/b7-4+
InChIKeyPDXNYNAVNOKVNT-QPJJXVBHSA-N
MW284.79 g/mol
LogP1.89
Rot. Bonds4

About 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione

1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 107902298) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID107902298
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C2CC2)C(=O)N1C/C=C/Cl
InChIInChI=1S/C14H21ClN2O2/c1-9(2)11-12(18)16-14(3,10-5-6-10)13(19)17(11)8-4-7-15/h4,7,9-11H,5-6,8H2,1-3H3,(H,16,18)/b7-4+
InChIKeyPDXNYNAVNOKVNT-QPJJXVBHSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64973145
3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64885748
3-cyclopropyl-1-(3-fluoropropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 81114687
1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione
CID 107898352
6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64887094
3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64964582
6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64884996
1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 106440757
6-butan-2-yl-3-cyclopropyl-1-(2-ethoxyethyl)-3-methylpiperazine-2,5-dione
CID 64887477
1-[(E)-3-chloroprop-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 107902225
3,6-dicyclopropyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83149405
1-(3-chloro-2-methylprop-2-enyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 106440656

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 107902298) is 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NC(C)(C2CC2)C(=O)N1C/C=C/Cl.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is PDXNYNAVNOKVNT-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(2)11-12(18)16-14(3,10-5-6-10)13(19)17(11)8-4-7-15/h4,7,9-11H,5-6,8H2,1-3H3,(H,16,18)/b7-4+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 284.79 g/mol, XLogP of 1.89, 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]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107902298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).