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

C19H25N3O — CID 53191660

IUPAC5-[(4-benzylpiperazin-1-yl)methyl]-1-ethylpyridin-2-one
SMILESCCn1cc(CN2CCN(Cc3ccccc3)CC2)ccc1=O
InChIInChI=1S/C19H25N3O/c1-2-22-16-18(8-9-19(22)23)15-21-12-10-20(11-13-21)14-17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3
InChIKeyLRIVZHFRJAGOMO-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.19
Rot. Bonds5

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

5-[(4-benzylpiperazin-1-yl)methyl]-1-ethylpyridin-2-one (PubChem CID 53191660) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-[(4-benzylpiperazin-1-yl)methyl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[(4-benzylpiperazin-1-yl)methyl]-1-ethylpyridin-2-one
PubChem CID53191660
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5-[(4-benzylpiperazin-1-yl)methyl]-1-ethylpyridin-2-one
SMILESCCn1cc(CN2CCN(Cc3ccccc3)CC2)ccc1=O
InChIInChI=1S/C19H25N3O/c1-2-22-16-18(8-9-19(22)23)15-21-12-10-20(11-13-21)14-17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3
InChIKeyLRIVZHFRJAGOMO-UHFFFAOYSA-N
XLogP2.19
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.19
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-ethylpyridin-2-one?
The IUPAC name of 5-[(4-benzylpiperazin-1-yl)methyl]-1-ethylpyridin-2-one (CID 53191660) is 5-[(4-benzylpiperazin-1-yl)methyl]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[(4-benzylpiperazin-1-yl)methyl]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[(4-benzylpiperazin-1-yl)methyl]-1-ethylpyridin-2-one is CCn1cc(CN2CCN(Cc3ccccc3)CC2)ccc1=O.
What is the InChIKey of 5-[(4-benzylpiperazin-1-yl)methyl]-1-ethylpyridin-2-one?
The InChIKey is LRIVZHFRJAGOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-22-16-18(8-9-19(22)23)15-21-12-10-20(11-13-21)14-17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3.
What are the key properties of 5-[(4-benzylpiperazin-1-yl)methyl]-1-ethylpyridin-2-one?
5-[(4-benzylpiperazin-1-yl)methyl]-1-ethylpyridin-2-one has a molecular weight of 311.43 g/mol, XLogP of 2.19, 5 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-ethylpyridin-2-one is sourced from PubChem (CID 53191660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).