7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one

C17H18N6O2 — CID 53181166

IUPAC7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one
SMILESCn1c(=O)n(C2CCN(C(=O)c3cccnc3)CC2)c2ncncc21
InChIInChI=1S/C17H18N6O2/c1-21-14-10-19-11-20-15(14)23(17(21)25)13-4-7-22(8-5-13)16(24)12-3-2-6-18-9-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3
InChIKeyOAEODJUXQRUUNP-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.00
Rot. Bonds2

About 7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one

7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one (PubChem CID 53181166) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one.

Molecular Properties

Compound Name7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one
PubChem CID53181166
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one
SMILESCn1c(=O)n(C2CCN(C(=O)c3cccnc3)CC2)c2ncncc21
InChIInChI=1S/C17H18N6O2/c1-21-14-10-19-11-20-15(14)23(17(21)25)13-4-7-22(8-5-13)16(24)12-3-2-6-18-9-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3
InChIKeyOAEODJUXQRUUNP-UHFFFAOYSA-N
XLogP1.00
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one
CID 53181163
7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one
CID 87051726
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 125461639
3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 91909913
[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 42479114
1,3-dimethyl-8-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7H-purine-2,6-dione
CID 91948346
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide
CID 87051759
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
CID 53107470

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one?
The IUPAC name of 7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one (CID 53181166) is 7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one.
What is the SMILES notation for 7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one?
The canonical SMILES for 7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one is Cn1c(=O)n(C2CCN(C(=O)c3cccnc3)CC2)c2ncncc21.
What is the InChIKey of 7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one?
The InChIKey is OAEODJUXQRUUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-21-14-10-19-11-20-15(14)23(17(21)25)13-4-7-22(8-5-13)16(24)12-3-2-6-18-9-12/h2-3,6,9-11,13H,4-5,7-8H2,1H3.
What are the key properties of 7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one?
7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one has a molecular weight of 338.37 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one is sourced from PubChem (CID 53181166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).