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

C15H25ClN2O2 — CID 106440709

IUPAC3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)CC)C(=O)N1CC(C)=CCl
InChIInChI=1S/C15H25ClN2O2/c1-5-7-12-14(19)17-13(11(4)6-2)15(20)18(12)9-10(3)8-16/h8,11-13H,5-7,9H2,1-4H3,(H,17,19)
InChIKeyLGRQELDBOVRTRO-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.67
Rot. Bonds6

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

3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione (PubChem CID 106440709) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione
PubChem CID106440709
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)CC)C(=O)N1CC(C)=CCl
InChIInChI=1S/C15H25ClN2O2/c1-5-7-12-14(19)17-13(11(4)6-2)15(20)18(12)9-10(3)8-16/h8,11-13H,5-7,9H2,1-4H3,(H,17,19)
InChIKeyLGRQELDBOVRTRO-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione (CID 106440709) is 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C(C)CC)C(=O)N1CC(C)=CCl.
What is the InChIKey of 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione?
The InChIKey is LGRQELDBOVRTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2/c1-5-7-12-14(19)17-13(11(4)6-2)15(20)18(12)9-10(3)8-16/h8,11-13H,5-7,9H2,1-4H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione?
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione has a molecular weight of 300.83 g/mol, XLogP of 2.67, 6 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-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 106440709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).