1-(4-butylphenyl)-6-methylpiperazine-2,5-dione

C15H20N2O2 — CID 64960777

IUPAC1-(4-butylphenyl)-6-methylpiperazine-2,5-dione
SMILESCCCCc1ccc(N2C(=O)CNC(=O)C2C)cc1
InChIInChI=1S/C15H20N2O2/c1-3-4-5-12-6-8-13(9-7-12)17-11(2)15(19)16-10-14(17)18/h6-9,11H,3-5,10H2,1-2H3,(H,16,19)
InChIKeyOIZRSLMBFCIFCU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.88
Rot. Bonds4

About 1-(4-butylphenyl)-6-methylpiperazine-2,5-dione

1-(4-butylphenyl)-6-methylpiperazine-2,5-dione (PubChem CID 64960777) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-butylphenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-butylphenyl)-6-methylpiperazine-2,5-dione
PubChem CID64960777
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-butylphenyl)-6-methylpiperazine-2,5-dione
SMILESCCCCc1ccc(N2C(=O)CNC(=O)C2C)cc1
InChIInChI=1S/C15H20N2O2/c1-3-4-5-12-6-8-13(9-7-12)17-11(2)15(19)16-10-14(17)18/h6-9,11H,3-5,10H2,1-2H3,(H,16,19)
InChIKeyOIZRSLMBFCIFCU-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-heptylphenyl)piperidin-4-one
CID 59549861
3-(4-butylphenyl)pyrrolidin-2-one
CID 82127210
1-(4-butylphenyl)-2-sulfanylidene-1,3-diazinan-4-one
CID 76943148
1-butyl-4-nonylbenzene
CID 59545302
4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one
CID 22115930
1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione
CID 64957933
1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine
CID 79398279
1-(4-butylphenyl)-3,4-diiodopyrrole-2,5-dione
CID 100958944
(3R)-3-(4-butylanilino)-1-(4-butylphenyl)pyrrolidine-2,5-dione
CID 98395221
3,6-bis(4-butylphenyl)-1,2,4,5-tetraoxane
CID 44573810
7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946746
3-methyl-1-(4-propylphenyl)pyrrolidine-2,5-dione;nonane
CID 163496658

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(4-butylphenyl)-6-methylpiperazine-2,5-dione (CID 64960777) is 1-(4-butylphenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-butylphenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-butylphenyl)-6-methylpiperazine-2,5-dione is CCCCc1ccc(N2C(=O)CNC(=O)C2C)cc1.
What is the InChIKey of 1-(4-butylphenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is OIZRSLMBFCIFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-5-12-6-8-13(9-7-12)17-11(2)15(19)16-10-14(17)18/h6-9,11H,3-5,10H2,1-2H3,(H,16,19).
What are the key properties of 1-(4-butylphenyl)-6-methylpiperazine-2,5-dione?
1-(4-butylphenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64960777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).