3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

C12H15N3O — CID 59559503

IUPAC3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESO=c1ccc2c(C3CCNCC3)c[nH]c2[nH]1
InChIInChI=1S/C12H15N3O/c16-11-2-1-9-10(7-14-12(9)15-11)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2,(H2,14,15,16)
InChIKeyCIYSYJWDAGKZEJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.32
Rot. Bonds1

About 3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one (PubChem CID 59559503) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
PubChem CID59559503
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESO=c1ccc2c(C3CCNCC3)c[nH]c2[nH]1
InChIInChI=1S/C12H15N3O/c16-11-2-1-9-10(7-14-12(9)15-11)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2,(H2,14,15,16)
InChIKeyCIYSYJWDAGKZEJ-UHFFFAOYSA-N
XLogP1.32
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methane;3-piperidin-4-yl-1H-indole
CID 70444570
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
2-piperidin-4-yl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 96610524
7-chloro-3-piperidin-4-yl-1H-indole
CID 12072036
6-methyl-3-pyrrolidin-3-yl-1H-indole
CID 54857127
6-(4-fluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 59559557
3-piperidin-4-yl-5-thiophen-3-yl-1H-indole
CID 141123206
5-methyl-3-piperidin-4-yl-1H-pyridin-2-one
CID 135145002
5-(1-chlorocyclopropyl)-3-piperidin-4-yl-1H-indole
CID 139510161
5-methyl-3-piperidin-4-yl-1H-pyridin-2-one;hydrochloride
CID 135145001
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462
3-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 59544107

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The IUPAC name of 3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one (CID 59559503) is 3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one.
What is the SMILES notation for 3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The canonical SMILES for 3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one is O=c1ccc2c(C3CCNCC3)c[nH]c2[nH]1.
What is the InChIKey of 3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The InChIKey is CIYSYJWDAGKZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-11-2-1-9-10(7-14-12(9)15-11)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2,(H2,14,15,16).
What are the key properties of 3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one has a molecular weight of 217.27 g/mol, XLogP of 1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one is sourced from PubChem (CID 59559503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).