1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one

C14H19N5O3 — CID 101399326

IUPAC1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one
SMILESCn1cnc2ncn(CC(=O)CN3CCC[C@H](O)C3)c(=O)c21
InChIInChI=1S/C14H19N5O3/c1-17-8-15-13-12(17)14(22)19(9-16-13)7-11(21)6-18-4-2-3-10(20)5-18/h8-10,20H,2-7H2,1H3/t10-/m0/s1
InChIKeyUWGPMOUINIXRPW-JTQLQIEISA-N
MW305.34 g/mol
LogP-0.84
Rot. Bonds4

About 1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one

1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one (PubChem CID 101399326) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one.

Molecular Properties

Compound Name1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one
PubChem CID101399326
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one
SMILESCn1cnc2ncn(CC(=O)CN3CCC[C@H](O)C3)c(=O)c21
InChIInChI=1S/C14H19N5O3/c1-17-8-15-13-12(17)14(22)19(9-16-13)7-11(21)6-18-4-2-3-10(20)5-18/h8-10,20H,2-7H2,1H3/t10-/m0/s1
InChIKeyUWGPMOUINIXRPW-JTQLQIEISA-N
XLogP-0.84
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one?
The IUPAC name of 1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one (CID 101399326) is 1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one.
What is the SMILES notation for 1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one?
The canonical SMILES for 1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one is Cn1cnc2ncn(CC(=O)CN3CCC[C@H](O)C3)c(=O)c21.
What is the InChIKey of 1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one?
The InChIKey is UWGPMOUINIXRPW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O3/c1-17-8-15-13-12(17)14(22)19(9-16-13)7-11(21)6-18-4-2-3-10(20)5-18/h8-10,20H,2-7H2,1H3/t10-/m0/s1.
What are the key properties of 1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one?
1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one has a molecular weight of 305.34 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S)-3-hydroxypiperidin-1-yl]-2-oxopropyl]-7-methylpurin-6-one is sourced from PubChem (CID 101399326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).