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

C14H15N3O3 — CID 43416124

IUPAC3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC(O)CC1
InChIInChI=1S/C14H15N3O3/c18-10-4-7-16(8-5-10)13(19)11-9-15-12-3-1-2-6-17(12)14(11)20/h1-3,6,9-10,18H,4-5,7-8H2
InChIKeyJEJKHMGMWMVOJQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.29
Rot. Bonds1

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

3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 43416124) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID43416124
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCC(O)CC1
InChIInChI=1S/C14H15N3O3/c18-10-4-7-16(8-5-10)13(19)11-9-15-12-3-1-2-6-17(12)14(11)20/h1-3,6,9-10,18H,4-5,7-8H2
InChIKeyJEJKHMGMWMVOJQ-UHFFFAOYSA-N
XLogP0.29
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 43416124) is 3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JEJKHMGMWMVOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-10-4-7-16(8-5-10)13(19)11-9-15-12-3-1-2-6-17(12)14(11)20/h1-3,6,9-10,18H,4-5,7-8H2.
What are the key properties of 3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.29 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 43416124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).