3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione

C15H25ClN2O2 — CID 106440683

IUPAC3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(=CCl)CN1C(=O)C(C(C)(C)C)NC(=O)C1C(C)C
InChIInChI=1S/C15H25ClN2O2/c1-9(2)11-13(19)17-12(15(4,5)6)14(20)18(11)8-10(3)7-16/h7,9,11-12H,8H2,1-6H3,(H,17,19)
InChIKeyVUGHWEYCHJNONV-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.53
Rot. Bonds3

About 3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione

3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 106440683) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID106440683
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(=CCl)CN1C(=O)C(C(C)(C)C)NC(=O)C1C(C)C
InChIInChI=1S/C15H25ClN2O2/c1-9(2)11-13(19)17-12(15(4,5)6)14(20)18(11)8-10(3)7-16/h7,9,11-12H,8H2,1-6H3,(H,17,19)
InChIKeyVUGHWEYCHJNONV-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione (CID 106440683) is 3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione is CC(=CCl)CN1C(=O)C(C(C)(C)C)NC(=O)C1C(C)C.
What is the InChIKey of 3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is VUGHWEYCHJNONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2/c1-9(2)11-13(19)17-12(15(4,5)6)14(20)18(11)8-10(3)7-16/h7,9,11-12H,8H2,1-6H3,(H,17,19).
What are the key properties of 3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione?
3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 300.83 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106440683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).