5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one

C18H23N3O — CID 53191663

IUPAC5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CCN(Cc3ccccc3)CC2)ccc1=O
InChIInChI=1S/C18H23N3O/c1-19-13-17(7-8-18(19)22)15-21-11-9-20(10-12-21)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3
InChIKeyIDYVZXUQKGLQDP-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.70
Rot. Bonds4

About 5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one

5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one (PubChem CID 53191663) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one
PubChem CID53191663
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CCN(Cc3ccccc3)CC2)ccc1=O
InChIInChI=1S/C18H23N3O/c1-19-13-17(7-8-18(19)22)15-21-11-9-20(10-12-21)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3
InChIKeyIDYVZXUQKGLQDP-UHFFFAOYSA-N
XLogP1.70
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one (CID 53191663) is 5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one is Cn1cc(CN2CCN(Cc3ccccc3)CC2)ccc1=O.
What is the InChIKey of 5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one?
The InChIKey is IDYVZXUQKGLQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-19-13-17(7-8-18(19)22)15-21-11-9-20(10-12-21)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one?
5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one has a molecular weight of 297.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzylpiperazin-1-yl)methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 53191663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).