2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one

C18H18N4O2 — CID 143435170

IUPAC2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one
SMILESO=C(c1ccc(-c2nc3[nH]ccc(=O)c3[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C18H18N4O2/c23-14-8-9-19-17-15(14)20-16(21-17)12-4-6-13(7-5-12)18(24)22-10-2-1-3-11-22/h4-9H,1-3,10-11H2,(H2,19,20,21,23)
InChIKeyQRKWOOVOAUMLMD-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.54
Rot. Bonds2

About 2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one

2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one (PubChem CID 143435170) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one.

Molecular Properties

Compound Name2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one
PubChem CID143435170
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one
SMILESO=C(c1ccc(-c2nc3[nH]ccc(=O)c3[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C18H18N4O2/c23-14-8-9-19-17-15(14)20-16(21-17)12-4-6-13(7-5-12)18(24)22-10-2-1-3-11-22/h4-9H,1-3,10-11H2,(H2,19,20,21,23)
InChIKeyQRKWOOVOAUMLMD-UHFFFAOYSA-N
XLogP2.54
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-piperidin-1-ylmethanone
CID 25197901
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
CID 155525147
4-(azocane-1-carbonyl)benzenecarbothioamide
CID 28801480
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 50828633
2-oxo-5-[4-(piperidine-1-carbonyl)phenyl]-1H-pyridine-4-carboxylic acid
CID 53224626
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
4-(azepane-1-carbonyl)benzonitrile
CID 7964092

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one?
The IUPAC name of 2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one (CID 143435170) is 2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one.
What is the SMILES notation for 2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one?
The canonical SMILES for 2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one is O=C(c1ccc(-c2nc3[nH]ccc(=O)c3[nH]2)cc1)N1CCCCC1.
What is the InChIKey of 2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one?
The InChIKey is QRKWOOVOAUMLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-14-8-9-19-17-15(14)20-16(21-17)12-4-6-13(7-5-12)18(24)22-10-2-1-3-11-22/h4-9H,1-3,10-11H2,(H2,19,20,21,23).
What are the key properties of 2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one?
2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one has a molecular weight of 322.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidine-1-carbonyl)phenyl]-1,4-dihydroimidazo[4,5-b]pyridin-7-one is sourced from PubChem (CID 143435170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).