2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one

C12H18N6O — CID 118455615

IUPAC2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one
SMILESNc1nc2nc[nH]c2c(=O)n1CCN1CCCCC1
InChIInChI=1S/C12H18N6O/c13-12-16-10-9(14-8-15-10)11(19)18(12)7-6-17-4-2-1-3-5-17/h8H,1-7H2,(H2,13,16)(H,14,15)
InChIKeyNUBAQMFDGGORJS-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.19
Rot. Bonds3

About 2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one

2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one (PubChem CID 118455615) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one.

Molecular Properties

Compound Name2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one
PubChem CID118455615
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one
SMILESNc1nc2nc[nH]c2c(=O)n1CCN1CCCCC1
InChIInChI=1S/C12H18N6O/c13-12-16-10-9(14-8-15-10)11(19)18(12)7-6-17-4-2-1-3-5-17/h8H,1-7H2,(H2,13,16)(H,14,15)
InChIKeyNUBAQMFDGGORJS-UHFFFAOYSA-N
XLogP0.19
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one?
The IUPAC name of 2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one (CID 118455615) is 2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one.
What is the SMILES notation for 2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one?
The canonical SMILES for 2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one is Nc1nc2nc[nH]c2c(=O)n1CCN1CCCCC1.
What is the InChIKey of 2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one?
The InChIKey is NUBAQMFDGGORJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c13-12-16-10-9(14-8-15-10)11(19)18(12)7-6-17-4-2-1-3-5-17/h8H,1-7H2,(H2,13,16)(H,14,15).
What are the key properties of 2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one?
2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one has a molecular weight of 262.32 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one is sourced from PubChem (CID 118455615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).