1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione

C14H23ClN2O2 — CID 106440615

IUPAC1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)C)C(=O)N1CC(C)=CCl
InChIInChI=1S/C14H23ClN2O2/c1-5-6-11-13(18)16-12(9(2)3)14(19)17(11)8-10(4)7-15/h7,9,11-12H,5-6,8H2,1-4H3,(H,16,18)
InChIKeyXSDWDTODGXGBSO-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.28
Rot. Bonds5

About 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione

1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione (PubChem CID 106440615) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
PubChem CID106440615
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)C)C(=O)N1CC(C)=CCl
InChIInChI=1S/C14H23ClN2O2/c1-5-6-11-13(18)16-12(9(2)3)14(19)17(11)8-10(4)7-15/h7,9,11-12H,5-6,8H2,1-4H3,(H,16,18)
InChIKeyXSDWDTODGXGBSO-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione
CID 106440709
1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione
CID 106440647
1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 107898189
1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 64872679
1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 106458916
1-(3-chloro-2-methylprop-2-enyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 106440619
3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione
CID 106440683
3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82926807
6-ethyl-1-(2-methylpentyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64872873
1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 107902164
3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione
CID 64902709
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-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione (CID 106440615) is 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C(C)C)C(=O)N1CC(C)=CCl.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione?
The InChIKey is XSDWDTODGXGBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-5-6-11-13(18)16-12(9(2)3)14(19)17(11)8-10(4)7-15/h7,9,11-12H,5-6,8H2,1-4H3,(H,16,18).
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione?
1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione has a molecular weight of 286.80 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 1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 106440615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).