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

C13H17N3O — CID 10220244

IUPAC3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCN1CCC(c2c[nH]c3ccc(=O)[nH]c23)CC1
InChIInChI=1S/C13H17N3O/c1-16-6-4-9(5-7-16)10-8-14-11-2-3-12(17)15-13(10)11/h2-3,8-9,14H,4-7H2,1H3,(H,15,17)
InChIKeyCKBSMVKHMUSXFY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.67
Rot. Bonds1

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

3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one (PubChem CID 10220244) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
PubChem CID10220244
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
SMILESCN1CCC(c2c[nH]c3ccc(=O)[nH]c23)CC1
InChIInChI=1S/C13H17N3O/c1-16-6-4-9(5-7-16)10-8-14-11-2-3-12(17)15-13(10)11/h2-3,8-9,14H,4-7H2,1H3,(H,15,17)
InChIKeyCKBSMVKHMUSXFY-UHFFFAOYSA-N
XLogP1.67
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-pyrrolo(3,2-b)pyridin-5-one
CID 124007
1,4-Dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-pyrrol[3,2-b]pyridin-5-one dihydrochloride hydrate
CID 71311960
1,4-dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-pyrrol(3,2-b)pyridin-5-one dihydrochloride
CID 46927988
1-[(E)-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)methylideneamino]-2-pentylguanidine
CID 135527031
3-amino-5-methyl-1,6-naphthyridin-2(1H)-one
CID 13232048
Cp93129 hydrochloride
CID 129718803
1-benzyl-3-phenyl-4H-pyrrolo[3,2-b]pyridin-5-one
CID 44285946
N-(2,4-dimethyl-1H-pyrrol-3-yl)acetamide
CID 19388586
1-methyl-3-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridin-2-one
CID 177664210
3-Amino-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 67130941
3-(2-Aminoethyl)-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 67131179
3-(Aminomethyl)-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 67134330

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one (CID 10220244) is 3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one is CN1CCC(c2c[nH]c3ccc(=O)[nH]c23)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one?
The InChIKey is CKBSMVKHMUSXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-6-4-9(5-7-16)10-8-14-11-2-3-12(17)15-13(10)11/h2-3,8-9,14H,4-7H2,1H3,(H,15,17).
What are the key properties of 3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one?
3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one has a molecular weight of 231.30 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 10220244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).