1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione

C16H30N2O2 — CID 107818498

IUPAC1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CCCCCCN1C(=O)CNC(=O)C1C(C)C
InChIInChI=1S/C16H30N2O2/c1-12(2)9-7-5-6-8-10-18-14(19)11-17-16(20)15(18)13(3)4/h12-13,15H,5-11H2,1-4H3,(H,17,20)
InChIKeyNGHSUOVGUHIDFW-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.58
Rot. Bonds8

About 1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione

1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 107818498) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID107818498
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CCCCCCN1C(=O)CNC(=O)C1C(C)C
InChIInChI=1S/C16H30N2O2/c1-12(2)9-7-5-6-8-10-18-14(19)11-17-16(20)15(18)13(3)4/h12-13,15H,5-11H2,1-4H3,(H,17,20)
InChIKeyNGHSUOVGUHIDFW-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione (CID 107818498) is 1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)CCCCCCN1C(=O)CNC(=O)C1C(C)C.
What is the InChIKey of 1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is NGHSUOVGUHIDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)9-7-5-6-8-10-18-14(19)11-17-16(20)15(18)13(3)4/h12-13,15H,5-11H2,1-4H3,(H,17,20).
What are the key properties of 1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione?
1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107818498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).