1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione

C16H20N2O3 — CID 103142004

IUPAC1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione
SMILESCC1CCC(CN2CC(=O)NC(c3ccccc3)C2=O)O1
InChIInChI=1S/C16H20N2O3/c1-11-7-8-13(21-11)9-18-10-14(19)17-15(16(18)20)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,17,19)
InChIKeyYMHVUYHQKILTDT-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.25
Rot. Bonds3

About 1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione

1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione (PubChem CID 103142004) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione
PubChem CID103142004
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione
SMILESCC1CCC(CN2CC(=O)NC(c3ccccc3)C2=O)O1
InChIInChI=1S/C16H20N2O3/c1-11-7-8-13(21-11)9-18-10-14(19)17-15(16(18)20)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,17,19)
InChIKeyYMHVUYHQKILTDT-UHFFFAOYSA-N
XLogP1.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64963539
1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
3-butan-2-yl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103142001
1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione
CID 107898417
3-phenyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963692
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 106409186
1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione
CID 64878640
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpiperazine-2,5-dione
CID 106409640
3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64965734
4-[(5-methyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 103142003
1-[(5-bromothiophen-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64879769
3-phenyl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970395

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione (CID 103142004) is 1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione is CC1CCC(CN2CC(=O)NC(c3ccccc3)C2=O)O1.
What is the InChIKey of 1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione?
The InChIKey is YMHVUYHQKILTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-7-8-13(21-11)9-18-10-14(19)17-15(16(18)20)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,17,19).
What are the key properties of 1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione?
1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 103142004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).