2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one

C19H22N4O2 — CID 95756698

IUPAC2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESC[C@H](c1ccccc1)N1Cc2nc(N3CCC(O)CC3)ncc2C1=O
InChIInChI=1S/C19H22N4O2/c1-13(14-5-3-2-4-6-14)23-12-17-16(18(23)25)11-20-19(21-17)22-9-7-15(24)8-10-22/h2-6,11,13,15,24H,7-10,12H2,1H3/t13-/m1/s1
InChIKeyLRGHMVRUGHYQEB-CYBMUJFWSA-N
MW338.41 g/mol
LogP2.15
Rot. Bonds3

About 2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one

2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 95756698) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID95756698
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESC[C@H](c1ccccc1)N1Cc2nc(N3CCC(O)CC3)ncc2C1=O
InChIInChI=1S/C19H22N4O2/c1-13(14-5-3-2-4-6-14)23-12-17-16(18(23)25)11-20-19(21-17)22-9-7-15(24)8-10-22/h2-6,11,13,15,24H,7-10,12H2,1H3/t13-/m1/s1
InChIKeyLRGHMVRUGHYQEB-CYBMUJFWSA-N
XLogP2.15
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 95756698) is 2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one is C[C@H](c1ccccc1)N1Cc2nc(N3CCC(O)CC3)ncc2C1=O.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is LRGHMVRUGHYQEB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(14-5-3-2-4-6-14)23-12-17-16(18(23)25)11-20-19(21-17)22-9-7-15(24)8-10-22/h2-6,11,13,15,24H,7-10,12H2,1H3/t13-/m1/s1.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one?
2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 338.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-6-[(1R)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 95756698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).