3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one

C23H28N4O2 — CID 56722616

IUPAC3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one
SMILESO=C1N(CCCc2ccccc2)CCCC1(O)CNCc1cnc2ccccn12
InChIInChI=1S/C23H28N4O2/c28-22-23(29,18-24-16-20-17-25-21-11-4-5-15-27(20)21)12-7-14-26(22)13-6-10-19-8-2-1-3-9-19/h1-5,8-9,11,15,17,24,29H,6-7,10,12-14,16,18H2
InChIKeyKGISHVXDOOUQTJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.41
Rot. Bonds8

About 3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one

3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one (PubChem CID 56722616) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one
PubChem CID56722616
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one
SMILESO=C1N(CCCc2ccccc2)CCCC1(O)CNCc1cnc2ccccn12
InChIInChI=1S/C23H28N4O2/c28-22-23(29,18-24-16-20-17-25-21-11-4-5-15-27(20)21)12-7-14-26(22)13-6-10-19-8-2-1-3-9-19/h1-5,8-9,11,15,17,24,29H,6-7,10,12-14,16,18H2
InChIKeyKGISHVXDOOUQTJ-UHFFFAOYSA-N
XLogP2.41
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
1-benzyl-3-propyl-1H,3H-pyrido(2,1-f)purine-2,4-dione
CID 10359522
Imidazopyridine 18a
CID 5329351
Imidazopyridine 18b
CID 5329352
Imidazopyridine 18d
CID 5329354
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}butyramide
CID 44444864
Pentanoic acid {4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444866
US9605005, Example 77
CID 117912488
3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282
Imidazopyridine 18c
CID 5329353
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 155923771
N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 145965246

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one?
The IUPAC name of 3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one (CID 56722616) is 3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one.
What is the SMILES notation for 3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one?
The canonical SMILES for 3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one is O=C1N(CCCc2ccccc2)CCCC1(O)CNCc1cnc2ccccn12.
What is the InChIKey of 3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one?
The InChIKey is KGISHVXDOOUQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22-23(29,18-24-16-20-17-25-21-11-4-5-15-27(20)21)12-7-14-26(22)13-6-10-19-8-2-1-3-9-19/h1-5,8-9,11,15,17,24,29H,6-7,10,12-14,16,18H2.
What are the key properties of 3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one?
3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[(imidazo[1,2-a]pyridin-3-ylmethylamino)methyl]-1-(3-phenylpropyl)piperidin-2-one is sourced from PubChem (CID 56722616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).