1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione

C17H24N2O2 — CID 64971483

IUPAC1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione
SMILESCC(C)CCC(C)N1C(=O)CNC(=O)C1c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-12(2)9-10-13(3)19-15(20)11-18-17(21)16(19)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,18,21)
InChIKeyCTYIBEQAXDSMBJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds5

About 1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione

1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione (PubChem CID 64971483) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione
PubChem CID64971483
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione
SMILESCC(C)CCC(C)N1C(=O)CNC(=O)C1c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-12(2)9-10-13(3)19-15(20)11-18-17(21)16(19)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,18,21)
InChIKeyCTYIBEQAXDSMBJ-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexan-3-yl-6-phenylpiperazine-2,5-dione
CID 64969117
6-methyl-1-(5-methylhexan-2-yl)piperazine-2,5-dione
CID 64971428
1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione
CID 80696629
1-(4-methylphenyl)-6-phenylpiperazine-2,5-dione
CID 64959343
5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one
CID 83263251
1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione
CID 103465381
3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione
CID 64957262
1-(2-ethoxyethyl)-6-phenylpiperazine-2,5-dione
CID 64880475
6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64880281
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylpiperazine-2,5-dione
CID 64967995
1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione
CID 82737491
6-phenyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210978

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione (CID 64971483) is 1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione is CC(C)CCC(C)N1C(=O)CNC(=O)C1c1ccccc1.
What is the InChIKey of 1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione?
The InChIKey is CTYIBEQAXDSMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)9-10-13(3)19-15(20)11-18-17(21)16(19)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,18,21).
What are the key properties of 1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione?
1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64971483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).