6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione

C17H24N2O2 — CID 64873857

IUPAC6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1Cc1ccccc1C
InChIInChI=1S/C17H24N2O2/c1-5-14-16(20)18-15(11(2)3)17(21)19(14)10-13-9-7-6-8-12(13)4/h6-9,11,14-15H,5,10H2,1-4H3,(H,18,20)
InChIKeyDILILLIKRCTBPD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.26
Rot. Bonds4

About 6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione

6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64873857) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64873857
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1Cc1ccccc1C
InChIInChI=1S/C17H24N2O2/c1-5-14-16(20)18-15(11(2)3)17(21)19(14)10-13-9-7-6-8-12(13)4/h6-9,11,14-15H,5,10H2,1-4H3,(H,18,20)
InChIKeyDILILLIKRCTBPD-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4,5-dimethylthiophen-2-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 65244955
3-butan-2-yl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64902888
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 79232203
6-ethyl-1-(2-methylpentyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64872873
6-ethyl-1-[(2-methylcyclopropyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 113464219
1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 105375775
1-(2,6-difluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959896
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
1-(3-ethoxypropyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959207
1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 107604069
6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64958396
3,3-dimethyl-1-[(2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64900825

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione (CID 64873857) is 6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1Cc1ccccc1C.
What is the InChIKey of 6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is DILILLIKRCTBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-14-16(20)18-15(11(2)3)17(21)19(14)10-13-9-7-6-8-12(13)4/h6-9,11,14-15H,5,10H2,1-4H3,(H,18,20).
What are the key properties of 6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(2-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64873857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).