5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one

C16H19N7O — CID 137343874

IUPAC5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESNc1nc(N2CCC(Cc3ccc(=O)[nH]c3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C16H19N7O/c17-16-21-14-13(19-9-20-14)15(22-16)23-5-3-10(4-6-23)7-11-1-2-12(24)18-8-11/h1-2,8-10H,3-7H2,(H,18,24)(H3,17,19,20,21,22)
InChIKeyBRKIMAAHIMURGJ-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.08
Rot. Bonds3

About 5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one

5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one (PubChem CID 137343874) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one
PubChem CID137343874
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESNc1nc(N2CCC(Cc3ccc(=O)[nH]c3)CC2)c2[nH]cnc2n1
InChIInChI=1S/C16H19N7O/c17-16-21-14-13(19-9-20-14)15(22-16)23-5-3-10(4-6-23)7-11-1-2-12(24)18-8-11/h1-2,8-10H,3-7H2,(H,18,24)(H3,17,19,20,21,22)
InChIKeyBRKIMAAHIMURGJ-UHFFFAOYSA-N
XLogP1.08
TPSA116.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one (CID 137343874) is 5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one is Nc1nc(N2CCC(Cc3ccc(=O)[nH]c3)CC2)c2[nH]cnc2n1.
What is the InChIKey of 5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The InChIKey is BRKIMAAHIMURGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c17-16-21-14-13(19-9-20-14)15(22-16)23-5-3-10(4-6-23)7-11-1-2-12(24)18-8-11/h1-2,8-10H,3-7H2,(H,18,24)(H3,17,19,20,21,22).
What are the key properties of 5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one has a molecular weight of 325.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 137343874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).