3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione

C24H23N3O3 — CID 58981828

IUPAC3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESO=C1NC(Cc2ccc(OCc3ccccc3)cn2)C(=O)NC1Cc1ccccc1
InChIInChI=1S/C24H23N3O3/c28-23-21(13-17-7-3-1-4-8-17)26-24(29)22(27-23)14-19-11-12-20(15-25-19)30-16-18-9-5-2-6-10-18/h1-12,15,21-22H,13-14,16H2,(H,26,29)(H,27,28)
InChIKeyJVDGYWNRNXWDTH-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.43
Rot. Bonds7

About 3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione

3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 58981828) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID58981828
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESO=C1NC(Cc2ccc(OCc3ccccc3)cn2)C(=O)NC1Cc1ccccc1
InChIInChI=1S/C24H23N3O3/c28-23-21(13-17-7-3-1-4-8-17)26-24(29)22(27-23)14-19-11-12-20(15-25-19)30-16-18-9-5-2-6-10-18/h1-12,15,21-22H,13-14,16H2,(H,26,29)(H,27,28)
InChIKeyJVDGYWNRNXWDTH-UHFFFAOYSA-N
XLogP2.43
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione (CID 58981828) is 3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione is O=C1NC(Cc2ccc(OCc3ccccc3)cn2)C(=O)NC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is JVDGYWNRNXWDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-23-21(13-17-7-3-1-4-8-17)26-24(29)22(27-23)14-19-11-12-20(15-25-19)30-16-18-9-5-2-6-10-18/h1-12,15,21-22H,13-14,16H2,(H,26,29)(H,27,28).
What are the key properties of 3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione?
3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 401.47 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-[(5-phenylmethoxy-2-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 58981828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).