3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione

C17H24N2O2 — CID 114334980

IUPAC3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(CCCCc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-3-15-17(21)19(13(2)16(20)18-15)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3,(H,18,20)
InChIKeyMPZISGPRUZGQKE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.13
Rot. Bonds6

About 3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione

3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione (PubChem CID 114334980) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
PubChem CID114334980
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(CCCCc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-3-15-17(21)19(13(2)16(20)18-15)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3,(H,18,20)
InChIKeyMPZISGPRUZGQKE-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.13
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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Related Compounds

3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione
CID 106009140
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440
3-ethyl-1-[(3-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902779
3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114926561
3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902782
3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619332
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 79215655
methyl 2-[(2R,5R)-4-benzyl-5-methyl-3,6-dioxopiperazin-2-yl]acetate
CID 146250811
3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733546
(3S,4R)-3-methyl-4-methylsulfanyl-1-(6-phenylhexyl)azetidin-2-one
CID 54068518
3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64902587
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 79206551

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione (CID 114334980) is 3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione is CCC1NC(=O)C(C)N(CCCCc2ccccc2)C1=O.
What is the InChIKey of 3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione?
The InChIKey is MPZISGPRUZGQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-15-17(21)19(13(2)16(20)18-15)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3,(H,18,20).
What are the key properties of 3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione?
3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 114334980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).