4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one

C21H24N2O2 — CID 3062958

IUPAC4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one
SMILESO=C1OCC(c2ccccc2)C1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c24-21-19(20(16-25-21)17-7-3-1-4-8-17)15-22-11-13-23(14-12-22)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKeyLCWUDWBKFWZWQD-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.77
Rot. Bonds4

About 4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one

4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one (PubChem CID 3062958) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one.

Molecular Properties

Compound Name4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one
PubChem CID3062958
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC Name4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one
SMILESO=C1OCC(c2ccccc2)C1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c24-21-19(20(16-25-21)17-7-3-1-4-8-17)15-22-11-13-23(14-12-22)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKeyLCWUDWBKFWZWQD-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one?
The IUPAC name of 4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one (CID 3062958) is 4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one.
What is the SMILES notation for 4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one?
The canonical SMILES for 4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one is O=C1OCC(c2ccccc2)C1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one?
The InChIKey is LCWUDWBKFWZWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21-19(20(16-25-21)17-7-3-1-4-8-17)15-22-11-13-23(14-12-22)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2.
What are the key properties of 4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one?
4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one has a molecular weight of 336.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one is sourced from PubChem (CID 3062958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).