1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone

C16H22N2O2 — CID 104749860

IUPAC1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2)CC1)C1CCOC1
InChIInChI=1S/C16H22N2O2/c19-16(14-6-11-20-13-14)12-17-7-9-18(10-8-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyMTXNXMTXRBFBKH-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.41
Rot. Bonds4

About 1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone

1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 104749860) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
PubChem CID104749860
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2)CC1)C1CCOC1
InChIInChI=1S/C16H22N2O2/c19-16(14-6-11-20-13-14)12-17-7-9-18(10-8-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyMTXNXMTXRBFBKH-UHFFFAOYSA-N
XLogP1.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone (CID 104749860) is 1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ccccc2)CC1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is MTXNXMTXRBFBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(14-6-11-20-13-14)12-17-7-9-18(10-8-17)15-4-2-1-3-5-15/h1-5,14H,6-13H2.
What are the key properties of 1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 274.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 104749860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).