1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione

C16H30N2O2 — CID 64964963

IUPAC1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCCC(C(C)C)N1C(=O)C(C(C)C)NC(=O)C1C(C)C
InChIInChI=1S/C16H30N2O2/c1-8-12(9(2)3)18-14(11(6)7)15(19)17-13(10(4)5)16(18)20/h9-14H,8H2,1-7H3,(H,17,19)
InChIKeyRLSFUXOZEZFEBR-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.43
Rot. Bonds5

About 1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione

1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 64964963) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID64964963
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCCC(C(C)C)N1C(=O)C(C(C)C)NC(=O)C1C(C)C
InChIInChI=1S/C16H30N2O2/c1-8-12(9(2)3)18-14(11(6)7)15(19)17-13(10(4)5)16(18)20/h9-14H,8H2,1-7H3,(H,17,19)
InChIKeyRLSFUXOZEZFEBR-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione with MolForge

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Related Compounds

1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64972901
1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64966679
3-butan-2-yl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969105
1-(2-methylbutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64958231
1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 65053001
1-butan-2-yl-6-tert-butyl-3-propan-2-ylpiperazine-2,5-dione
CID 79452301
1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64960434
6-methyl-1-(3-methylbutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959782
3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959747
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
CID 64964662
1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 113466183

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of 1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione (CID 64964963) is 1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione is CCC(C(C)C)N1C(=O)C(C(C)C)NC(=O)C1C(C)C.
What is the InChIKey of 1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is RLSFUXOZEZFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-8-12(9(2)3)18-14(11(6)7)15(19)17-13(10(4)5)16(18)20/h9-14H,8H2,1-7H3,(H,17,19).
What are the key properties of 1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione?
1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64964963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).