2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one

C22H25N3O2 — CID 139424044

IUPAC2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one
SMILESO=C1Nc2ccccc2C12COC(CN1CCN(c3ccccc3)CC1)C2
InChIInChI=1S/C22H25N3O2/c26-21-22(19-8-4-5-9-20(19)23-21)14-18(27-16-22)15-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,26)
InChIKeyXFRXDXANDHEXAT-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.49
Rot. Bonds3

About 2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one

2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one (PubChem CID 139424044) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one.

Molecular Properties

Compound Name2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one
PubChem CID139424044
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one
SMILESO=C1Nc2ccccc2C12COC(CN1CCN(c3ccccc3)CC1)C2
InChIInChI=1S/C22H25N3O2/c26-21-22(19-8-4-5-9-20(19)23-21)14-18(27-16-22)15-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,26)
InChIKeyXFRXDXANDHEXAT-UHFFFAOYSA-N
XLogP2.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one?
The IUPAC name of 2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one (CID 139424044) is 2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one.
What is the SMILES notation for 2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one?
The canonical SMILES for 2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one is O=C1Nc2ccccc2C12COC(CN1CCN(c3ccccc3)CC1)C2.
What is the InChIKey of 2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one?
The InChIKey is XFRXDXANDHEXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-22(19-8-4-5-9-20(19)23-21)14-18(27-16-22)15-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,26).
What are the key properties of 2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one?
2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one has a molecular weight of 363.46 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(4-phenylpiperazin-1-yl)methyl]spiro[1H-indole-3,4'-oxolane]-2-one is sourced from PubChem (CID 139424044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).