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

C15H23ClN2O2 — CID 107902215

IUPAC3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)(C2CC2)N(C/C=C/Cl)C1=O
InChIInChI=1S/C15H23ClN2O2/c1-4-10(2)12-13(19)18(9-5-8-16)15(3,11-6-7-11)14(20)17-12/h5,8,10-12H,4,6-7,9H2,1-3H3,(H,17,20)/b8-5+
InChIKeyPFWCLYWFBCCKKH-VMPITWQZSA-N
MW298.81 g/mol
LogP2.28
Rot. Bonds5

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

3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione (PubChem CID 107902215) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
PubChem CID107902215
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)(C2CC2)N(C/C=C/Cl)C1=O
InChIInChI=1S/C15H23ClN2O2/c1-4-10(2)12-13(19)18(9-5-8-16)15(3,11-6-7-11)14(20)17-12/h5,8,10-12H,4,6-7,9H2,1-3H3,(H,17,20)/b8-5+
InChIKeyPFWCLYWFBCCKKH-VMPITWQZSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

3-butan-2-yl-6-cyclopropyl-1-(3-methoxypropyl)-6-methylpiperazine-2,5-dione
CID 64901198
3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888864
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107898298
3-butan-2-yl-6,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64901946
3,6-di(butan-2-yl)-1-[(E)-3-chloroprop-2-enyl]piperazine-2,5-dione
CID 107902198
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione
CID 106440716
1-[(E)-3-chloroprop-2-enyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 107902012
6-cyclopropyl-3,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902022
1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64903675
6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine-2,5-dione
CID 107902008
3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione
CID 65460488
6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107902058

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione (CID 107902215) is 3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(C)(C2CC2)N(C/C=C/Cl)C1=O.
What is the InChIKey of 3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione?
The InChIKey is PFWCLYWFBCCKKH-VMPITWQZSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-10(2)12-13(19)18(9-5-8-16)15(3,11-6-7-11)14(20)17-12/h5,8,10-12H,4,6-7,9H2,1-3H3,(H,17,20)/b8-5+.
What are the key properties of 3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione?
3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione has a molecular weight of 298.81 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 107902215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).