7-piperidin-4-yl-9H-purin-8-one

C10H13N5O — CID 22293198

IUPAC7-piperidin-4-yl-9H-purin-8-one
SMILESO=c1[nH]c2ncncc2n1C1CCNCC1
InChIInChI=1S/C10H13N5O/c16-10-14-9-8(5-12-6-13-9)15(10)7-1-3-11-4-2-7/h5-7,11H,1-4H2,(H,12,13,14,16)
InChIKeyFGDNVPXJOXIFBH-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.04
Rot. Bonds1

About 7-piperidin-4-yl-9H-purin-8-one

7-piperidin-4-yl-9H-purin-8-one (PubChem CID 22293198) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 7-piperidin-4-yl-9H-purin-8-one.

Molecular Properties

Compound Name7-piperidin-4-yl-9H-purin-8-one
PubChem CID22293198
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name7-piperidin-4-yl-9H-purin-8-one
SMILESO=c1[nH]c2ncncc2n1C1CCNCC1
InChIInChI=1S/C10H13N5O/c16-10-14-9-8(5-12-6-13-9)15(10)7-1-3-11-4-2-7/h5-7,11H,1-4H2,(H,12,13,14,16)
InChIKeyFGDNVPXJOXIFBH-UHFFFAOYSA-N
XLogP0.04
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-piperidin-4-yl-9H-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

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-9H-purin-8-one?
The IUPAC name of 7-piperidin-4-yl-9H-purin-8-one (CID 22293198) is 7-piperidin-4-yl-9H-purin-8-one.
What is the SMILES notation for 7-piperidin-4-yl-9H-purin-8-one?
The canonical SMILES for 7-piperidin-4-yl-9H-purin-8-one is O=c1[nH]c2ncncc2n1C1CCNCC1.
What is the InChIKey of 7-piperidin-4-yl-9H-purin-8-one?
The InChIKey is FGDNVPXJOXIFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c16-10-14-9-8(5-12-6-13-9)15(10)7-1-3-11-4-2-7/h5-7,11H,1-4H2,(H,12,13,14,16).
What are the key properties of 7-piperidin-4-yl-9H-purin-8-one?
7-piperidin-4-yl-9H-purin-8-one has a molecular weight of 219.25 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-9H-purin-8-one is sourced from PubChem (CID 22293198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).