2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one

C24H24N2O4 — CID 30858853

IUPAC2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one
SMILESO=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H24N2O4/c27-21-15-22(30-18-23(21)29-17-20-9-5-2-6-10-20)24(28)26-13-11-25(12-14-26)16-19-7-3-1-4-8-19/h1-10,15,18H,11-14,16-17H2
InChIKeyUOLCHCCGWFVBNY-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.18
Rot. Bonds6

About 2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one

2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one (PubChem CID 30858853) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one.

Molecular Properties

Compound Name2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one
PubChem CID30858853
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one
SMILESO=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H24N2O4/c27-21-15-22(30-18-23(21)29-17-20-9-5-2-6-10-20)24(28)26-13-11-25(12-14-26)16-19-7-3-1-4-8-19/h1-10,15,18H,11-14,16-17H2
InChIKeyUOLCHCCGWFVBNY-UHFFFAOYSA-N
XLogP3.18
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one?
The IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one (CID 30858853) is 2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one.
What is the SMILES notation for 2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one?
The canonical SMILES for 2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one is O=C(c1cc(=O)c(OCc2ccccc2)co1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one?
The InChIKey is UOLCHCCGWFVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c27-21-15-22(30-18-23(21)29-17-20-9-5-2-6-10-20)24(28)26-13-11-25(12-14-26)16-19-7-3-1-4-8-19/h1-10,15,18H,11-14,16-17H2.
What are the key properties of 2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one?
2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one has a molecular weight of 404.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxypyran-4-one is sourced from PubChem (CID 30858853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).