8-piperidin-4-yl-3,7-dihydropurine-2,6-dione

C10H13N5O2 — CID 114402296

IUPAC8-piperidin-4-yl-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c(=O)c2[nH]c(C3CCNCC3)nc2[nH]1
InChIInChI=1S/C10H13N5O2/c16-9-6-8(14-10(17)15-9)13-7(12-6)5-1-3-11-4-2-5/h5,11H,1-4H2,(H3,12,13,14,15,16,17)
InChIKeyKUAPQYSBHGVZKX-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.59
Rot. Bonds1

About 8-piperidin-4-yl-3,7-dihydropurine-2,6-dione

8-piperidin-4-yl-3,7-dihydropurine-2,6-dione (PubChem CID 114402296) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 8-piperidin-4-yl-3,7-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-piperidin-4-yl-3,7-dihydropurine-2,6-dione
PubChem CID114402296
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name8-piperidin-4-yl-3,7-dihydropurine-2,6-dione
SMILESO=c1[nH]c(=O)c2[nH]c(C3CCNCC3)nc2[nH]1
InChIInChI=1S/C10H13N5O2/c16-9-6-8(14-10(17)15-9)13-7(12-6)5-1-3-11-4-2-5/h5,11H,1-4H2,(H3,12,13,14,15,16,17)
InChIKeyKUAPQYSBHGVZKX-UHFFFAOYSA-N
XLogP-0.59
TPSA106.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

8-[4-(trifluoromethyl)cyclohexyl]-3,7-dihydropurine-2,6-dione
CID 114402832
8-(2-aminocyclopentyl)-3,7-dihydropurine-2,6-dione
CID 114402349
8-(2-piperidin-4-ylethyl)-3,7-dihydropurine-2,6-dione
CID 114402403
3-methyl-8-piperidin-4-yl-7H-purine-2,6-dione
CID 82463934
5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione
CID 83867955
8-(2,3-dihydro-1-benzothiophen-2-yl)-3,7-dihydropurine-2,6-dione
CID 114402794
4-hydroxy-5-piperidin-4-yl-1,3-dihydroimidazol-2-one
CID 54339870
8-(1-amino-4-ethylcyclohexyl)-3,7-dihydropurine-2,6-dione
CID 114402142
2-methyl-5-piperidin-4-yl-4H-1,2,4-triazol-3-one
CID 136966014
8-(hydroxymethyl)-3,7-dihydropurine-2,6-dione
CID 115647659
2,6-dioxo-3,7-dihydropurine-8-carbonitrile
CID 152645473
4-hydroxy-5-phenyl-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 65431755

Frequently Asked Questions

What is the IUPAC name of 8-piperidin-4-yl-3,7-dihydropurine-2,6-dione?
The IUPAC name of 8-piperidin-4-yl-3,7-dihydropurine-2,6-dione (CID 114402296) is 8-piperidin-4-yl-3,7-dihydropurine-2,6-dione.
What is the SMILES notation for 8-piperidin-4-yl-3,7-dihydropurine-2,6-dione?
The canonical SMILES for 8-piperidin-4-yl-3,7-dihydropurine-2,6-dione is O=c1[nH]c(=O)c2[nH]c(C3CCNCC3)nc2[nH]1.
What is the InChIKey of 8-piperidin-4-yl-3,7-dihydropurine-2,6-dione?
The InChIKey is KUAPQYSBHGVZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c16-9-6-8(14-10(17)15-9)13-7(12-6)5-1-3-11-4-2-5/h5,11H,1-4H2,(H3,12,13,14,15,16,17).
What are the key properties of 8-piperidin-4-yl-3,7-dihydropurine-2,6-dione?
8-piperidin-4-yl-3,7-dihydropurine-2,6-dione has a molecular weight of 235.25 g/mol, XLogP of -0.59, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperidin-4-yl-3,7-dihydropurine-2,6-dione is sourced from PubChem (CID 114402296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).