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

C14H23ClN2O2 — CID 107902058

IUPAC6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C(C)C)C(=O)N1C/C=C/Cl
InChIInChI=1S/C14H23ClN2O2/c1-5-10(4)12-13(18)16-11(9(2)3)14(19)17(12)8-6-7-15/h6-7,9-12H,5,8H2,1-4H3,(H,16,18)/b7-6+
InChIKeyMFQSTBKUSBVBFQ-VOTSOKGWSA-N
MW286.80 g/mol
LogP2.14
Rot. Bonds5

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

6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 107902058) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID107902058
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C(C)C)C(=O)N1C/C=C/Cl
InChIInChI=1S/C14H23ClN2O2/c1-5-10(4)12-13(18)16-11(9(2)3)14(19)17(12)8-6-7-15/h6-7,9-12H,5,8H2,1-4H3,(H,16,18)/b7-6+
InChIKeyMFQSTBKUSBVBFQ-VOTSOKGWSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

3,6-di(butan-2-yl)-1-[(E)-3-chloroprop-2-enyl]piperazine-2,5-dione
CID 107902198
6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine-2,5-dione
CID 107902008
1-[(E)-3-chloroprop-2-enyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 107901996
6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64872817
6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64873399
6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 65178143
3-butan-2-yl-1-[(E)-but-2-enyl]-6-methylpiperazine-2,5-dione
CID 114013986
1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 107898189
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 103465503
1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 113466183
3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 104766455

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione (CID 107902058) is 6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione is CCC(C)C1C(=O)NC(C(C)C)C(=O)N1C/C=C/Cl.
What is the InChIKey of 6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is MFQSTBKUSBVBFQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-5-10(4)12-13(18)16-11(9(2)3)14(19)17(12)8-6-7-15/h6-7,9-12H,5,8H2,1-4H3,(H,16,18)/b7-6+.
What are the key properties of 6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione?
6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 286.80 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107902058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).