2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one

C12H15N3O — CID 101456520

IUPAC2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESO=C1c2cnccc2CN1N1CCCCC1
InChIInChI=1S/C12H15N3O/c16-12-11-8-13-5-4-10(11)9-15(12)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
InChIKeyAFFKASHBTXWYGT-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.44
Rot. Bonds1

About 2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one

2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 101456520) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID101456520
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESO=C1c2cnccc2CN1N1CCCCC1
InChIInChI=1S/C12H15N3O/c16-12-11-8-13-5-4-10(11)9-15(12)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
InChIKeyAFFKASHBTXWYGT-UHFFFAOYSA-N
XLogP1.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-prop-2-enyl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 15941350
2-prop-2-enyl-3,4-dihydro-2,7-naphthyridin-1-one
CID 166583854
2-(4-ethoxyphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 20866828
methyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate
CID 126459229
2-(3-amino-1-adamantyl)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 67341804
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 101456517
7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
CID 23157166
3,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene-4-carbaldehyde
CID 87943679
6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 59252733
2-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 138621382
(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone
CID 130772047
1-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)cycloheptane-1-carbonitrile
CID 63303747

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one (CID 101456520) is 2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one is O=C1c2cnccc2CN1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is AFFKASHBTXWYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-11-8-13-5-4-10(11)9-15(12)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one?
2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 101456520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).