5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one

C15H20N2O2 — CID 71461430

IUPAC5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one
SMILESCC1CC(N2CCN(c3ccccc3)CC2)C(=O)O1
InChIInChI=1S/C15H20N2O2/c1-12-11-14(15(18)19-12)17-9-7-16(8-10-17)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyCUKBNUASFXRMNE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.51
Rot. Bonds2

About 5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one

5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one (PubChem CID 71461430) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one
PubChem CID71461430
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one
SMILESCC1CC(N2CCN(c3ccccc3)CC2)C(=O)O1
InChIInChI=1S/C15H20N2O2/c1-12-11-14(15(18)19-12)17-9-7-16(8-10-17)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKeyCUKBNUASFXRMNE-UHFFFAOYSA-N
XLogP1.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one?
The IUPAC name of 5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one (CID 71461430) is 5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one.
What is the SMILES notation for 5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one?
The canonical SMILES for 5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one is CC1CC(N2CCN(c3ccccc3)CC2)C(=O)O1.
What is the InChIKey of 5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one?
The InChIKey is CUKBNUASFXRMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12-11-14(15(18)19-12)17-9-7-16(8-10-17)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3.
What are the key properties of 5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one?
5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-phenylpiperazin-1-yl)oxolan-2-one is sourced from PubChem (CID 71461430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).