3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C16H19N3O4 — CID 56907202

IUPAC3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3CC[C@H](CO)[C@@H](O)C3)c(=O)n12
InChIInChI=1S/C16H19N3O4/c1-10-3-2-4-14-17-7-12(16(23)19(10)14)15(22)18-6-5-11(9-20)13(21)8-18/h2-4,7,11,13,20-21H,5-6,8-9H2,1H3/t11-,13+/m1/s1
InChIKeyIRDOORWQGCVYTD-YPMHNXCESA-N
MW317.35 g/mol
LogP-0.18
Rot. Bonds2

About 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 56907202) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID56907202
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3CC[C@H](CO)[C@@H](O)C3)c(=O)n12
InChIInChI=1S/C16H19N3O4/c1-10-3-2-4-14-17-7-12(16(23)19(10)14)15(22)18-6-5-11(9-20)13(21)8-18/h2-4,7,11,13,20-21H,5-6,8-9H2,1H3/t11-,13+/m1/s1
InChIKeyIRDOORWQGCVYTD-YPMHNXCESA-N
XLogP-0.18
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 56907202) is 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2ncc(C(=O)N3CC[C@H](CO)[C@@H](O)C3)c(=O)n12.
What is the InChIKey of 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IRDOORWQGCVYTD-YPMHNXCESA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-3-2-4-14-17-7-12(16(23)19(10)14)15(22)18-6-5-11(9-20)13(21)8-18/h2-4,7,11,13,20-21H,5-6,8-9H2,1H3/t11-,13+/m1/s1.
What are the key properties of 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 317.35 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56907202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).