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

C25H27N3O4 — CID 16803002

IUPACN-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide
SMILESCN(C(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)c1ccccc1
InChIInChI=1S/C25H27N3O4/c1-26(20-8-4-2-5-9-20)25(30)19-32-24-18-31-22(16-23(24)29)17-27-12-14-28(15-13-27)21-10-6-3-7-11-21/h2-11,16,18H,12-15,17,19H2,1H3
InChIKeyFSAVTZXSFMZTRG-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.00
Rot. Bonds7

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

N-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide (PubChem CID 16803002) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide
PubChem CID16803002
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide
SMILESCN(C(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)c1ccccc1
InChIInChI=1S/C25H27N3O4/c1-26(20-8-4-2-5-9-20)25(30)19-32-24-18-31-22(16-23(24)29)17-27-12-14-28(15-13-27)21-10-6-3-7-11-21/h2-11,16,18H,12-15,17,19H2,1H3
InChIKeyFSAVTZXSFMZTRG-UHFFFAOYSA-N
XLogP3.00
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide?
The IUPAC name of N-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide (CID 16803002) is N-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide is CN(C(=O)COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)c1ccccc1.
What is the InChIKey of N-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide?
The InChIKey is FSAVTZXSFMZTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-26(20-8-4-2-5-9-20)25(30)19-32-24-18-31-22(16-23(24)29)17-27-12-14-28(15-13-27)21-10-6-3-7-11-21/h2-11,16,18H,12-15,17,19H2,1H3.
What are the key properties of N-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide?
N-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide has a molecular weight of 433.51 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-N-phenylacetamide is sourced from PubChem (CID 16803002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).