1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one

C16H18N4O — CID 69235175

IUPAC1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one
SMILESNc1ccc(N2CCN(Cc3ccccc3)CC2=O)cn1
InChIInChI=1S/C16H18N4O/c17-15-7-6-14(10-18-15)20-9-8-19(12-16(20)21)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H2,17,18)
InChIKeyOWIPDMRGDFMMJA-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.51
Rot. Bonds3

About 1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one

1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one (PubChem CID 69235175) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one
PubChem CID69235175
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one
SMILESNc1ccc(N2CCN(Cc3ccccc3)CC2=O)cn1
InChIInChI=1S/C16H18N4O/c17-15-7-6-14(10-18-15)20-9-8-19(12-16(20)21)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H2,17,18)
InChIKeyOWIPDMRGDFMMJA-UHFFFAOYSA-N
XLogP1.51
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one
CID 70704734
5-[4-[(4-bromophenyl)methyl]piperazin-1-yl]pyridin-2-amine
CID 43461948
4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one
CID 6487972
4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 110009222
4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one
CID 135350064
4-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-1-(3,5-dimethylphenyl)piperazin-2-one
CID 124754176
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one
CID 75514982
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-(2,2-dimethylpropyl)-1-(6-iodo-3-pyridinyl)piperazin-2-one
CID 134601378
4-[[3-(2-aminoethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)piperazin-2-one
CID 56913986
4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-phenylpiperazin-2-one
CID 131946303

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one?
The IUPAC name of 1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one (CID 69235175) is 1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one?
The canonical SMILES for 1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one is Nc1ccc(N2CCN(Cc3ccccc3)CC2=O)cn1.
What is the InChIKey of 1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one?
The InChIKey is OWIPDMRGDFMMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-15-7-6-14(10-18-15)20-9-8-19(12-16(20)21)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H2,17,18).
What are the key properties of 1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one?
1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one has a molecular weight of 282.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)-4-benzylpiperazin-2-one is sourced from PubChem (CID 69235175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).