1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one

C17H19N3O — CID 154580851

IUPAC1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2ccccn2)CCN1Cc1ccccc1
InChIInChI=1S/C17H19N3O/c21-17-14-19(13-16-8-4-5-9-18-16)10-11-20(17)12-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyBJJFPIQPCFLUAO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.93
Rot. Bonds4

About 1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one

1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one (PubChem CID 154580851) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
PubChem CID154580851
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2ccccn2)CCN1Cc1ccccc1
InChIInChI=1S/C17H19N3O/c21-17-14-19(13-16-8-4-5-9-18-16)10-11-20(17)12-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyBJJFPIQPCFLUAO-UHFFFAOYSA-N
XLogP1.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one
CID 146080007
2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53371663
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one
CID 154575642
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
2-benzyl-6-(pyridin-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373358
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one
CID 167436677
2-benzyl-6-(pyridin-2-ylmethyl)-3,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 67376288
4-benzyl-3-oxopiperazine-1-carboxylic acid
CID 68915236

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one?
The IUPAC name of 1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one (CID 154580851) is 1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one is O=C1CN(Cc2ccccn2)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one?
The InChIKey is BJJFPIQPCFLUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17-14-19(13-16-8-4-5-9-18-16)10-11-20(17)12-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one?
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one has a molecular weight of 281.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 154580851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).