2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one

C13H18N4O — CID 82384331

IUPAC2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
SMILESCN1CCC(N)CC1c1cc2c(=O)[nH]ccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-17-5-3-8(14)6-12(17)11-7-9-10(16-11)2-4-15-13(9)18/h2,4,7-8,12,16H,3,5-6,14H2,1H3,(H,15,18)
InChIKeyCUFWTYBKNBZTSB-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.95
Rot. Bonds1

About 2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one

2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 82384331) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
PubChem CID82384331
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
SMILESCN1CCC(N)CC1c1cc2c(=O)[nH]ccc2[nH]1
InChIInChI=1S/C13H18N4O/c1-17-5-3-8(14)6-12(17)11-7-9-10(16-11)2-4-15-13(9)18/h2,4,7-8,12,16H,3,5-6,14H2,1H3,(H,15,18)
InChIKeyCUFWTYBKNBZTSB-UHFFFAOYSA-N
XLogP0.95
TPSA77.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-yl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 96610524
2-(4-chloro-3-methylphenyl)-1-methylpiperidin-4-amine
CID 165457750
6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124692940
1-methyl-2-(1,2-oxazol-5-yl)piperidin-4-amine
CID 82408264
1-methyl-2-(7-methyl-1H-indazol-5-yl)piperidin-4-amine
CID 82385475
1-methyl-2-([1,3]thiazolo[5,4-b]pyridin-7-yl)piperidin-4-amine
CID 82383276
1-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-amine
CID 82384304
2-(4,6-dihydrothieno[3,4-b]thiophen-2-yl)-1-methylpiperidin-4-amine
CID 82380893
(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine
CID 129405284
5-(cyclopropylmethoxy)-4-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indole-2-carboxylic acid
CID 90417773
cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one
CID 143626578
1-methyl-2-(5-methylimidazo[1,2-a]pyridin-2-yl)piperidin-4-amine
CID 82385489

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one (CID 82384331) is 2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one is CN1CCC(N)CC1c1cc2c(=O)[nH]ccc2[nH]1.
What is the InChIKey of 2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is CUFWTYBKNBZTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-5-3-8(14)6-12(17)11-7-9-10(16-11)2-4-15-13(9)18/h2,4,7-8,12,16H,3,5-6,14H2,1H3,(H,15,18).
What are the key properties of 2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 246.31 g/mol, XLogP of 0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-methylpiperidin-2-yl)-1,5-dihydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 82384331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).