3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one

C19H23N3O4 — CID 70782779

IUPAC3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1CN(C(=O)c2cnc3c(O)cccn3c2=O)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C19H23N3O4/c1-12-11-21(9-7-19(12,26)13-4-2-5-13)17(24)14-10-20-16-15(23)6-3-8-22(16)18(14)25/h3,6,8,10,12-13,23,26H,2,4-5,7,9,11H2,1H3/t12-,19+/m1/s1
InChIKeyJHHDOUWBLNPYLC-BLVKFPJESA-N
MW357.41 g/mol
LogP1.41
Rot. Bonds2

About 3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one

3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 70782779) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID70782779
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1CN(C(=O)c2cnc3c(O)cccn3c2=O)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C19H23N3O4/c1-12-11-21(9-7-19(12,26)13-4-2-5-13)17(24)14-10-20-16-15(23)6-3-8-22(16)18(14)25/h3,6,8,10,12-13,23,26H,2,4-5,7,9,11H2,1H3/t12-,19+/m1/s1
InChIKeyJHHDOUWBLNPYLC-BLVKFPJESA-N
XLogP1.41
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 70782779) is 3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one is C[C@@H]1CN(C(=O)c2cnc3c(O)cccn3c2=O)CC[C@@]1(O)C1CCC1.
What is the InChIKey of 3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JHHDOUWBLNPYLC-BLVKFPJESA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-11-21(9-7-19(12,26)13-4-2-5-13)17(24)14-10-20-16-15(23)6-3-8-22(16)18(14)25/h3,6,8,10,12-13,23,26H,2,4-5,7,9,11H2,1H3/t12-,19+/m1/s1.
What are the key properties of 3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 357.41 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70782779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).