3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C15H17N3O3 — CID 114680495

IUPAC3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CN(C(=O)c2cnc3ccccn3c2=O)CCC1O
InChIInChI=1S/C15H17N3O3/c1-10-9-17(7-5-12(10)19)14(20)11-8-16-13-4-2-3-6-18(13)15(11)21/h2-4,6,8,10,12,19H,5,7,9H2,1H3
InChIKeyQCQAMPNVKQOIBB-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.54
Rot. Bonds1

About 3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 114680495) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID114680495
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CN(C(=O)c2cnc3ccccn3c2=O)CCC1O
InChIInChI=1S/C15H17N3O3/c1-10-9-17(7-5-12(10)19)14(20)11-8-16-13-4-2-3-6-18(13)15(11)21/h2-4,6,8,10,12,19H,5,7,9H2,1H3
InChIKeyQCQAMPNVKQOIBB-UHFFFAOYSA-N
XLogP0.54
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 114680495) is 3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is CC1CN(C(=O)c2cnc3ccccn3c2=O)CCC1O.
What is the InChIKey of 3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QCQAMPNVKQOIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-9-17(7-5-12(10)19)14(20)11-8-16-13-4-2-3-6-18(13)15(11)21/h2-4,6,8,10,12,19H,5,7,9H2,1H3.
What are the key properties of 3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.32 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 114680495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).