1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one

C17H24N2O2 — CID 123613004

IUPAC1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one
SMILESCC(C)(CO)NCC1=CCN(Cc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O2/c1-17(2,13-20)18-10-15-8-9-19(12-16(15)21)11-14-6-4-3-5-7-14/h3-8,18,20H,9-13H2,1-2H3
InChIKeyIAAHTXVUXVJNJE-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.36
Rot. Bonds6

About 1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one

1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one (PubChem CID 123613004) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one
PubChem CID123613004
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one
SMILESCC(C)(CO)NCC1=CCN(Cc2ccccc2)CC1=O
InChIInChI=1S/C17H24N2O2/c1-17(2,13-20)18-10-15-8-9-19(12-16(15)21)11-14-6-4-3-5-7-14/h3-8,18,20H,9-13H2,1-2H3
InChIKeyIAAHTXVUXVJNJE-UHFFFAOYSA-N
XLogP1.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol
CID 45283387
1-benzyl-4-(4-fluorophenyl)-2,6-dihydropyridin-3-one
CID 101414861
2-[(2-ethylphenyl)methylamino]-2-methylpropan-1-ol
CID 62391565
2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol
CID 4715466
2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 124821107
1-(4-benzylpiperazin-1-yl)-N-ethyl-2-methylpropan-2-amine
CID 62835780
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087
2-(3-benzyl-2,4-dihydro-1H-pyrimidin-6-yl)-2-methylpropanal
CID 142707246
methyl 1-benzyl-4-hydroxy-2,5-dihydropyrrole-3-carboxylate
CID 91825963
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane
CID 143581792
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one?
The IUPAC name of 1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one (CID 123613004) is 1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one is CC(C)(CO)NCC1=CCN(Cc2ccccc2)CC1=O.
What is the InChIKey of 1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one?
The InChIKey is IAAHTXVUXVJNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,13-20)18-10-15-8-9-19(12-16(15)21)11-14-6-4-3-5-7-14/h3-8,18,20H,9-13H2,1-2H3.
What are the key properties of 1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one?
1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one has a molecular weight of 288.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-2,6-dihydropyridin-3-one is sourced from PubChem (CID 123613004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).