2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide

C24H25N3O4 — CID 7178268

IUPAC2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)Nc1ccccc1
InChIInChI=1S/C24H25N3O4/c28-22-15-21(16-26-11-13-27(14-12-26)20-9-5-2-6-10-20)30-17-23(22)31-18-24(29)25-19-7-3-1-4-8-19/h1-10,15,17H,11-14,16,18H2,(H,25,29)
InChIKeyURVHVVCJZNBWOI-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.98
Rot. Bonds7

About 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide

2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide (PubChem CID 7178268) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide
PubChem CID7178268
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)Nc1ccccc1
InChIInChI=1S/C24H25N3O4/c28-22-15-21(16-26-11-13-27(14-12-26)20-9-5-2-6-10-20)30-17-23(22)31-18-24(29)25-19-7-3-1-4-8-19/h1-10,15,17H,11-14,16,18H2,(H,25,29)
InChIKeyURVHVVCJZNBWOI-UHFFFAOYSA-N
XLogP2.98
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide?
The IUPAC name of 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide (CID 7178268) is 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide?
The canonical SMILES for 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide is O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)Nc1ccccc1.
What is the InChIKey of 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide?
The InChIKey is URVHVVCJZNBWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-22-15-21(16-26-11-13-27(14-12-26)20-9-5-2-6-10-20)30-17-23(22)31-18-24(29)25-19-7-3-1-4-8-19/h1-10,15,17H,11-14,16,18H2,(H,25,29).
What are the key properties of 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide?
2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide has a molecular weight of 419.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide is sourced from PubChem (CID 7178268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).