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

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

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Related Compounds

6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
6-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-7H-purine
CID 67232922
4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile
CID 138380855
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
1-(2-amino-7H-purin-6-yl)-3-methylpiperidin-4-ol
CID 114749498
6-(3-methoxypyrrolidin-1-yl)-7H-purin-2-amine
CID 103541736
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
1-(2-amino-7H-purin-6-yl)piperidine-3-carboxamide
CID 115669348
4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one
CID 168700963

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).